(6z,9z,12z,16e,18z)-15-hydroxytetracosa-6,9,12,16,18-pentaenoic acid (C24H38O3)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C=C\C(C/C=C\C/C=C\C/C=C\CCCCC(=O)O)O

InChI

InChI=1S/C24H38O3/c1-2-3-4-5-11-14-17-20-23(25)21-18-15-12-9-7-6-8-10-13-16-19-22-24(26)27/h7-11,14-15,17-18,20,23,25H,2-6,12-13,16,19,21-22H2,1H3,(H,26,27)/b9-7-,10-8-,14-11-,18-15-,20-17+

InChIKey

WCPFNHAOKQUJEV-YQUHDJBSSA-N

Compound name

(6Z,9Z,12Z,16E,18Z)-15-hydroxytetracosa-6,9,12,16,18-pentaenoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	375.289376	202.1
[M+Na]+	397.271318	202.7
[M-H]-	373.274824	196.6
[M+NH4]+	392.315923	197.8
[M+K]+	413.245258	194.7
[M+H-H2O]+	357.279360	195.2
[M+HCOO]-	419.280301	217.0
[M+CH3COO]-	433.295951	215.1
[M+Na-2H]-	395.256766	196.4
[M]+	374.28155142	204.8
[M]-	374.28264858	204.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

375.289376

202.1

[M+Na]+

397.271318

202.7

[M-H]-

373.274824

196.6

[M+NH4]+

392.315923

197.8

[M+K]+

413.245258

194.7

[M+H-H2O]+

357.279360

195.2

[M+HCOO]-

419.280301

217.0

[M+CH3COO]-

433.295951

215.1

[M+Na-2H]-

395.256766

196.4

[M]+

374.28155142

204.8

[M]-

374.28264858

204.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(6z,9z,12z,16e,18z)-15-hydroxytetracosa-6,9,12,16,18-pentaenoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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