CID 51040919

Cpa(18:0/0:0)

Structural Information

Molecular Formula
C21H41O6P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC1COP(=O)(O1)O
InChI
InChI=1S/C21H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-18-20-19-26-28(23,24)27-20/h20H,2-19H2,1H3,(H,23,24)
InChIKey
BAAJXXGEGGUMMX-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl)methyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

420.26407 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.27135 211.6
[M+Na]+ 443.25329 212.3
[M-H]- 419.25679 211.0
[M+NH4]+ 438.29789 222.5
[M+K]+ 459.22723 211.5
[M+H-H2O]+ 403.26133 202.9
[M+HCOO]- 465.26227 232.0
[M+CH3COO]- 479.27792 224.0
[M+Na-2H]- 441.23874 207.2
[M]+ 420.26352 221.4
[M]- 420.26462 221.4
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