CID 87977098

Lysopa(20:2(11z,14z)/0:0)

Structural Information

Molecular Formula
C23H43O7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C23H43O7P/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/h6-7,9-10,22,24H,2-5,8,11-21H2,1H3,(H2,26,27,28)/b7-6-,10-9-
InChIKey
PIWSAHYRIXOITD-HZJYTTRNSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

462.27463 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.28191 212.0
[M+Na]+ 485.26385 215.0
[M-H]- 461.26735 204.7
[M+NH4]+ 480.30845 212.0
[M+K]+ 501.23779 210.5
[M+H-H2O]+ 445.27189 202.4
[M+HCOO]- 507.27283 220.6
[M+CH3COO]- 521.28848 227.8
[M+Na-2H]- 483.24930 197.0
[M]+ 462.27408 208.2
[M]- 462.27518 208.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe