CID 52922243

Pc(14:1(9z)/13:0)

Structural Information

Molecular Formula
C35H69NO8P
SMILES
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C35H68NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36(3,4)5)44-35(38)28-26-24-22-19-17-15-13-11-9-7-2/h12,14,33H,6-11,13,15-32H2,1-5H3/p+1/b14-12-/t33-/m1/s1
InChIKey
YFIXORVTTBTJFP-HUIXSENASA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-tetradec-9-enoyl]oxy-2-tridecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.4761 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.48338 264.0
[M+Na]+ 685.46532 267.1
[M-H]- 661.46882 260.4
[M+NH4]+ 680.50992 272.4
[M+K]+ 701.43926 266.9
[M+H-H2O]+ 645.47336 249.8
[M+HCOO]- 707.47430 272.0
[M+CH3COO]- 721.48995 268.7
[M+Na-2H]- 683.45077 245.7
[M]+ 662.47555 262.0
[M]- 662.47665 262.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.