CID 53477946

Cpa(18:1(11z)/0:0)

Structural Information

Molecular Formula
C21H39O6P
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)OCC1COP(=O)(O1)O
InChI
InChI=1S/C21H39O6P/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/h7-8,20H,2-6,9-19H2,1H3,(H,23,24)/b8-7-
InChIKey
AXUULXHJKNFQON-FPLPWBNLSA-N
Compound name
(2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl)methyl (Z)-octadec-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

418.2484 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.25568 210.2
[M+Na]+ 441.23762 211.4
[M-H]- 417.24112 209.7
[M+NH4]+ 436.28222 221.2
[M+K]+ 457.21156 209.9
[M+H-H2O]+ 401.24566 201.6
[M+HCOO]- 463.24660 230.9
[M+CH3COO]- 477.26225 222.6
[M+Na-2H]- 439.22307 205.9
[M]+ 418.24785 219.3
[M]- 418.24895 219.3
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.