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

31
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

literature stripe

Patent stripe

patents stripe