CID 151809

3-hydroxypropyl dihydrogen phosphate

Structural Information

Molecular Formula
C3H9O5P
SMILES
C(CO)COP(=O)(O)O
InChI
InChI=1S/C3H9O5P/c4-2-1-3-8-9(5,6)7/h4H,1-3H2,(H2,5,6,7)
InChIKey
HYCSHFLKPSMPGO-UHFFFAOYSA-N
Compound name
3-hydroxypropyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

5050
Patents

156.01875 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.026026 132.1
[M+Na]+ 179.007968 139.3
[M-H]- 155.011474 127.4
[M+NH4]+ 174.052573 151.5
[M+K]+ 194.981908 138.9
[M+H-H2O]+ 139.016010 126.2
[M+HCOO]- 201.016951 157.2
[M+CH3COO]- 215.032601 166.8
[M+Na-2H]- 176.993416 136.4
[M]+ 156.01820142 134.2
[M]- 156.01929858 134.2
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