CID 167650

17378-38-0

Structural Information

Molecular Formula
C19H37O7P
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h2-17H2,1H3,(H2,22,23,24)
InChIKey
MLWXSIMRTQAWHY-UHFFFAOYSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

2
Patents

408.2277 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.23498 200.5
[M+Na]+ 431.21692 204.6
[M-H]- 407.22042 194.2
[M+NH4]+ 426.26152 202.6
[M+K]+ 447.19086 199.0
[M+H-H2O]+ 391.22496 192.6
[M+HCOO]- 453.22590 211.5
[M+CH3COO]- 467.24155 220.5
[M+Na-2H]- 429.20237 187.6
[M]+ 408.22715 198.6
[M]- 408.22825 198.6
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