CID 5313847

Pc(o-18:2(9z,12z)/2:0)

Structural Information

Molecular Formula
C28H55NO7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C28H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3,4)5/h10-11,13-14,28H,6-9,12,15-26H2,1-5H3/p+1/b11-10-,14-13-/t28-/m1/s1
InChIKey
ICPPVEDRGDADTQ-IZZMTCJOSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

548.37164 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.37892 237.9
[M+Na]+ 571.36086 242.4
[M-H]- 547.36436 234.8
[M+NH4]+ 566.40546 244.2
[M+K]+ 587.33480 238.8
[M+H-H2O]+ 531.36890 223.8
[M+HCOO]- 593.36984 251.2
[M+CH3COO]- 607.38549 246.9
[M+Na-2H]- 569.34631 222.3
[M]+ 548.37109 235.2
[M]- 548.37219 235.2
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.