CID 54004104

Schembl5466559

Structural Information

Molecular Formula
C3H7O6P
SMILES
CC(C(=O)OP(=O)(O)O)O
InChI
InChI=1S/C3H7O6P/c1-2(4)3(5)9-10(6,7)8/h2,4H,1H3,(H2,6,7,8)
InChIKey
KNQBPJGKNGURCX-UHFFFAOYSA-N
Compound name
phosphono 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

847
Patents

169.99803 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.00531 132.3
[M+Na]+ 192.98725 139.2
[M-H]- 168.99075 127.8
[M+NH4]+ 188.03185 150.9
[M+K]+ 208.96119 139.9
[M+H-H2O]+ 152.99529 126.4
[M+HCOO]- 214.99623 155.8
[M+CH3COO]- 229.01188 169.2
[M+Na-2H]- 190.97270 134.4
[M]+ 169.99748 133.6
[M]- 169.99858 133.6
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.