CID 58085295

1-decanoyl-sn-glycero-3-phosphate(2-)

Structural Information

Molecular Formula
C13H27O7P
SMILES
CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C13H27O7P/c1-2-3-4-5-6-7-8-9-13(15)19-10-12(14)11-20-21(16,17)18/h12,14H,2-11H2,1H3,(H2,16,17,18)/t12-/m1/s1
InChIKey
CMQAWGIRCVKCMC-GFCCVEGCSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

326.14944 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15672 181.0
[M+Na]+ 349.13866 183.5
[M-H]- 325.14216 174.6
[M+NH4]+ 344.18326 179.1
[M+K]+ 365.11260 182.6
[M+H-H2O]+ 309.14670 172.9
[M+HCOO]- 371.14764 190.4
[M+CH3COO]- 385.16329 201.4
[M+Na-2H]- 347.12411 178.5
[M]+ 326.14889 187.6
[M]- 326.14999 187.6
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