CID 52924050

Pc(19:1(9z)/0:0)

Structural Information

Molecular Formula
C27H55NO7P
SMILES
CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C27H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28(2,3)4/h13-14,26,29H,5-12,15-25H2,1-4H3/p+1/b14-13-/t26-/m1/s1
InChIKey
VRVDEVSSPPTZQJ-JKCKFMQZSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-nonadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.37164 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.37892 234.7
[M+Na]+ 559.36086 237.8
[M-H]- 535.36436 230.7
[M+NH4]+ 554.40546 238.4
[M+K]+ 575.33480 234.2
[M+H-H2O]+ 519.36890 219.5
[M+HCOO]- 581.36984 246.0
[M+CH3COO]- 595.38549 243.2
[M+Na-2H]- 557.34631 218.4
[M]+ 536.37109 231.0
[M]- 536.37219 231.0
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.