PubChemLite - 220619-73-8 (C24H32O2)

Structural Information

Molecular Formula

SMILES

C/C(=C\C(=O)O)/C=C/[C@@H]1C[C@]1(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C

InChI

InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1

InChIKey

BOOOLEGQBVUTKC-NVQSDHBMSA-N

Compound name

(2E,4E)-3-methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic 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]+	353.24751	182.8
[M+Na]+	375.22945	190.9
[M-H]-	351.23295	189.2
[M+NH4]+	370.27405	197.7
[M+K]+	391.20339	187.0
[M+H-H2O]+	335.23749	178.7
[M+HCOO]-	397.23843	196.0
[M+CH3COO]-	411.25408	217.8
[M+Na-2H]-	373.21490	183.1
[M]+	352.23968	185.8
[M]-	352.24078	185.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.24751

182.8

[M+Na]+

375.22945

190.9

[M-H]-

351.23295

189.2

[M+NH4]+

370.27405

197.7

[M+K]+

391.20339

187.0

[M+H-H2O]+

335.23749

178.7

[M+HCOO]-

397.23843

196.0

[M+CH3COO]-

411.25408

217.8

[M+Na-2H]-

373.21490

183.1

[M]+

352.23968

185.8

[M]-

352.24078

185.8

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

220619-73-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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