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

1617
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 130.2
[M+Na]+ 176.99233 137.1
[M-H]- 152.99583 125.7
[M+NH4]+ 172.03693 149.4
[M+K]+ 192.96627 137.3
[M+H-H2O]+ 137.00037 124.5
[M+HCOO]- 199.00131 153.5
[M+CH3COO]- 213.01696 167.6
[M+Na-2H]- 174.97778 132.1
[M]+ 154.00256 130.2
[M]- 154.00366 130.2
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