CID 87980450

Schembl6358610

Structural Information

Molecular Formula
C23H45O7P
SMILES
CCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C23H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h7-8,22,24H,2-6,9-21H2,1H3,(H2,26,27,28)/b8-7-
InChIKey
UWPUIZDFMSIUMM-FPLPWBNLSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) (Z)-icos-13-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

464.29028 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.29756 214.3
[M+Na]+ 487.27950 216.6
[M-H]- 463.28300 206.1
[M+NH4]+ 482.32410 213.9
[M+K]+ 503.25344 212.6
[M+H-H2O]+ 447.28754 204.5
[M+HCOO]- 509.28848 222.0
[M+CH3COO]- 523.30413 229.2
[M+Na-2H]- 485.26495 198.7
[M]+ 464.28973 210.7
[M]- 464.29083 210.7
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