CID 73187

2-phosphonopropionic acid

Structural Information

Molecular Formula
C3H7O5P
SMILES
CC(C(=O)O)P(=O)(O)O
InChI
InChI=1S/C3H7O5P/c1-2(3(4)5)9(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)
InChIKey
GUXRZQZCNOHHDO-UHFFFAOYSA-N
Compound name
2-phosphonopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1165
Patents

154.00311 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01039 129.9
[M+Na]+ 176.99233 136.3
[M+NH4]+ 172.03693 134.1
[M+K]+ 192.96627 136.3
[M-H]- 152.99583 124.3
[M+Na-2H]- 174.97778 129.4
[M]+ 154.00256 128.5
[M]- 154.00366 128.5
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