CID 1682

3-phosphonopropionic acid

Structural Information

Molecular Formula
C3H7O5P
SMILES
C(CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
InChIKey
NLBSQHGCGGFVJW-UHFFFAOYSA-N
Compound name
3-phosphonopropanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

27
References

3057
Patents

154.00311 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01039 130.5
[M+Na]+ 176.99233 137.7
[M-H]- 152.99583 125.9
[M+NH4]+ 172.03693 149.8
[M+K]+ 192.96627 137.2
[M+H-H2O]+ 137.00037 124.7
[M+HCOO]- 199.00131 154.8
[M+CH3COO]- 213.01696 166.7
[M+Na-2H]- 174.97778 133.6
[M]+ 154.00256 131.1
[M]- 154.00366 131.1
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