CID 9547165

1,2-dihexanoyl-sn-glycero-3-phosphate

Structural Information

Molecular Formula
C15H29O8P
SMILES
CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC
InChI
InChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1
InChIKey
SFZZRGHNPILUOD-CYBMUJFWSA-N
Compound name
[(2R)-2-hexanoyloxy-3-phosphonooxypropyl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

368.16 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16728 189.4
[M+Na]+ 391.14922 194.2
[M-H]- 367.15272 186.9
[M+NH4]+ 386.19382 193.9
[M+K]+ 407.12316 187.3
[M+H-H2O]+ 351.15726 180.7
[M+HCOO]- 413.15820 199.7
[M+CH3COO]- 427.17385 211.1
[M+Na-2H]- 389.13467 178.5
[M]+ 368.15945 188.0
[M]- 368.16055 188.0
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

patents stripe