CID 440156

2-hydroxypropyl phosphate(2-)

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

153
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

literature stripe

Patent stripe

patents stripe