CID 134812328

Ohoda-pc

Structural Information

Molecular Formula
C38H71NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(/C=C/C=O)O
InChI
InChI=1S/C38H70NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-28-37(42)46-33-36(34-48-50(44,45)47-32-30-39(2,3)4)49-38(43)29-24-21-18-19-22-26-35(41)27-25-31-40/h12-13,25,27,31,35-36,41H,5-11,14-24,26,28-30,32-34H2,1-4H3/p+1/b13-12-,27-25+/t35?,36-/m1/s1
InChIKey
NONJVOGUEJNZHR-PUVJFNDUSA-O
Compound name
2-[hydroxy-[(2R)-2-[(E)-9-hydroxy-12-oxododec-10-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

732.48157 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.48885 272.5
[M+Na]+ 755.47079 274.6
[M-H]- 731.47429 271.6
[M+NH4]+ 750.51539 282.2
[M+K]+ 771.44473 275.2
[M+H-H2O]+ 715.47883 257.8
[M+HCOO]- 777.47977 276.4
[M+CH3COO]- 791.49542 276.0
[M+Na-2H]- 753.45624 253.2
[M]+ 732.48102 270.6
[M]- 732.48212 270.6
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.