CID 132550

2-[docos-13-enoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium

Structural Information

Molecular Formula
C27H57NO4P
SMILES
CCCCCCCCC=CCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C27H56NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31-33(29,30)32-27-25-28(2,3)4/h12-13H,5-11,14-27H2,1-4H3/p+1
InChIKey
KCRSJPCXPQESIU-UHFFFAOYSA-O
Compound name
2-[docos-13-enoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

490.40253 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.40981 234.8
[M+Na]+ 513.39175 238.8
[M-H]- 489.39525 225.4
[M+NH4]+ 508.43635 235.0
[M+K]+ 529.36569 234.8
[M+H-H2O]+ 473.39979 219.1
[M+HCOO]- 535.40073 251.7
[M+CH3COO]- 549.41638 240.9
[M+Na-2H]- 511.37720 218.3
[M]+ 490.40198 231.7
[M]- 490.40308 231.7
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

patents stripe