CID 440156

1,2-propanediol 1-phosphate

Structural Information

Molecular Formula
C3H9O5P
SMILES
CC(COP(=O)(O)O)O
InChI
InChI=1S/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)
InChIKey
PDKDLYHHQBVFJL-UHFFFAOYSA-N
Compound name
2-hydroxypropyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

156
Patents

156.01875 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02603 132.2
[M+Na]+ 179.00797 139.1
[M-H]- 155.01147 127.5
[M+NH4]+ 174.05257 151.5
[M+K]+ 194.98191 139.2
[M+H-H2O]+ 139.01601 126.3
[M+HCOO]- 201.01695 156.2
[M+CH3COO]- 215.03260 167.7
[M+Na-2H]- 176.99342 135.2
[M]+ 156.01820 133.5
[M]- 156.01930 133.5
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

No patent data available for this compound.