CID 52929768

1-(9z-tetradecenoyl)-glycero-3-phosphate

Structural Information

Molecular Formula
C17H33O7P
SMILES
CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h5-6,16,18H,2-4,7-15H2,1H3,(H2,20,21,22)/b6-5-/t16-/m1/s1
InChIKey
IQSHJASKBUVXAG-OGZRUICASA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.19638 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20366 192.2
[M+Na]+ 403.18560 195.7
[M-H]- 379.18910 186.4
[M+NH4]+ 398.23020 192.1
[M+K]+ 419.15954 189.2
[M+H-H2O]+ 363.19364 189.1
[M+HCOO]- 425.19458 202.4
[M+CH3COO]- 439.21023 211.7
[M+Na-2H]- 401.17105 193.4
[M]+ 380.19583 189.0
[M]- 380.19693 189.0
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

No patent data available for this compound.