CID 134812302

Oov-pc

Structural Information

Molecular Formula
C31H59NO9P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC=O
InChI
InChI=1S/C31H58NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30(34)38-27-29(41-31(35)23-20-21-25-33)28-40-42(36,37)39-26-24-32(2,3)4/h12-13,25,29H,5-11,14-24,26-28H2,1-4H3/p+1/b13-12-/t29-/m1/s1
InChIKey
QIJHXUVSEDYOIU-BKAVPCLVSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-(5-oxopentanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.39276 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.40004 250.8
[M+Na]+ 643.38198 254.8
[M-H]- 619.38548 250.1
[M+NH4]+ 638.42658 260.4
[M+K]+ 659.35592 252.4
[M+H-H2O]+ 603.39002 237.3
[M+HCOO]- 665.39096 261.0
[M+CH3COO]- 679.40661 258.5
[M+Na-2H]- 641.36743 234.4
[M]+ 620.39221 249.1
[M]- 620.39331 249.1
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.