PubChemLite - Pe(p-19:1(12z)/0:0) (C24H48NO6P)

Structural Information

Molecular Formula

SMILES

CCCCCC/C=C\CCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)O

InChI

InChI=1S/C24H48NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25/h7-8,18,20,24,26H,2-6,9-17,19,21-23,25H2,1H3,(H,27,28)/b8-7-,20-18-/t24-/m1/s1

InChIKey

QKXTUVCRMVYDML-IPCSYXIDSA-N

Compound name

2-aminoethyl [(2R)-2-hydroxy-3-[(1Z,12Z)-nonadeca-1,12-dienoxy]propyl] hydrogen phosphate

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]+	478.32921	219.6
[M+Na]+	500.31115	223.6
[M-H]-	476.31465	211.0
[M+NH4]+	495.35575	217.1
[M+K]+	516.28509	218.3
[M+H-H2O]+	460.31919	208.7
[M+HCOO]-	522.32013	228.2
[M+CH3COO]-	536.33578	236.5
[M+Na-2H]-	498.29660	203.4
[M]+	477.32138	213.4
[M]-	477.32248	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.32921

219.6

[M+Na]+

500.31115

223.6

[M-H]-

476.31465

211.0

[M+NH4]+

495.35575

217.1

[M+K]+

516.28509

218.3

[M+H-H2O]+

460.31919

208.7

[M+HCOO]-

522.32013

228.2

[M+CH3COO]-

536.33578

236.5

[M+Na-2H]-

498.29660

203.4

[M]+

477.32138

213.4

[M]-

477.32248

213.4

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

Pe(p-19:1(12z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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