CID 9547180

Pa(14:0/0:0)

Structural Information

Molecular Formula
C17H35O7P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C17H35O7P/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/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKey
FAZBDRGXCKPVJU-MRXNPFEDSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

51
Patents

382.21204 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.219316 194.5
[M+Na]+ 405.201258 197.4
[M-H]- 381.204764 187.9
[M+NH4]+ 400.245863 194.0
[M+K]+ 421.175198 191.4
[M+H-H2O]+ 365.209300 190.5
[M+HCOO]- 427.210241 203.8
[M+CH3COO]- 441.225891 213.2
[M+Na-2H]- 403.186706 194.8
[M]+ 382.21149142 191.5
[M]- 382.21258858 191.5
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