CID 134812316

Okooa-pc

Structural Information

Molecular Formula
C34H61NO10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC(=O)/C=C/C=O
InChI
InChI=1S/C34H60NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33(38)42-29-32(30-44-46(40,41)43-28-26-35(2,3)4)45-34(39)25-20-22-31(37)23-21-27-36/h12-13,21,23,27,32H,5-11,14-20,22,24-26,28-30H2,1-4H3/p+1/b13-12-,23-21+/t32-/m1/s1
InChIKey
WNAATOSKONAYRZ-GWQQNOTJSA-O
Compound name
2-[[(2R)-2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.4033 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.41058 259.5
[M+Na]+ 697.39252 263.9
[M-H]- 673.39602 261.2
[M+NH4]+ 692.43712 271.9
[M+K]+ 713.36646 262.4
[M+H-H2O]+ 657.40056 246.5
[M+HCOO]- 719.40150 267.3
[M+CH3COO]- 733.41715 266.6
[M+Na-2H]- 695.37797 243.0
[M]+ 674.40275 258.5
[M]- 674.40385 258.5
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.