CID 439964

Glycerophosphoglycerol(1-)

Structural Information

Molecular Formula
C6H15O8P
SMILES
C(C(COP(=O)(O)OCC(CO)O)O)O
InChI
InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)
InChIKey
LLCSXHMJULHSJN-UHFFFAOYSA-N
Compound name
bis(2,3-dihydroxypropyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

1003
Patents

246.05046 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05774 153.2
[M+Na]+ 269.03968 157.1
[M-H]- 245.04318 145.0
[M+NH4]+ 264.08428 166.9
[M+K]+ 285.01362 157.3
[M+H-H2O]+ 229.04772 146.2
[M+HCOO]- 291.04866 172.8
[M+CH3COO]- 305.06431 179.9
[M+Na-2H]- 267.02513 153.2
[M]+ 246.04991 155.4
[M]- 246.05101 155.4
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