CID 22298968

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

Structural Information

Molecular Formula
C9H19O7P
SMILES
CCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m1/s1
InChIKey
FIMVTNBZKNVWDN-MRVPVSSYSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.08685 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09413 160.5
[M+Na]+ 293.07607 164.7
[M+NH4]+ 288.12067 162.6
[M+K]+ 309.05001 164.5
[M-H]- 269.07957 153.6
[M+Na-2H]- 291.06152 157.7
[M]+ 270.08630 158.3
[M]- 270.08740 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe