CID 9543358

132125-60-1

Structural Information

Molecular Formula
C3H9O5P
SMILES
C[C@H]([C@H](O)P(=O)(O)O)O
InChI
InChI=1S/C3H9O5P/c1-2(4)3(5)9(6,7)8/h2-5H,1H3,(H2,6,7,8)/t2-,3-/m1/s1
InChIKey
MXMXXUIOCREOTJ-PWNYCUMCSA-N
Compound name
[(1R,2R)-1,2-dihydroxypropyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

156.01875 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02603 133.3
[M+Na]+ 179.00797 139.5
[M-H]- 155.01147 127.3
[M+NH4]+ 174.05257 151.8
[M+K]+ 194.98191 139.3
[M+H-H2O]+ 139.01601 127.6
[M+HCOO]- 201.01695 154.8
[M+CH3COO]- 215.03260 166.2
[M+Na-2H]- 176.99342 134.4
[M]+ 156.01820 132.0
[M]- 156.01930 132.0
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.