CID 134812298

Os-pc

Structural Information

Molecular Formula
C30H57NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC(=O)O
InChI
InChI=1S/C30H56NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29(34)38-25-27(41-30(35)22-21-28(32)33)26-40-42(36,37)39-24-23-31(2,3)4/h12-13,27H,5-11,14-26H2,1-4H3,(H-,32,33,36,37)/p+1/b13-12-/t27-/m1/s1
InChIKey
YTDJKPAWCJSLDU-MEOKJUQFSA-O
Compound name
2-[[(2R)-2-(3-carboxypropanoyloxy)-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.372 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.37928 247.7
[M+Na]+ 645.36122 250.7
[M-H]- 621.36472 248.9
[M+NH4]+ 640.40582 257.2
[M+K]+ 661.33516 248.4
[M+H-H2O]+ 605.36926 233.8
[M+HCOO]- 667.37020 254.0
[M+CH3COO]- 681.38585 255.8
[M+Na-2H]- 643.34667 231.2
[M]+ 622.37145 245.5
[M]- 622.37255 245.5
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.