CID 2773805

4-phosphonobutyric acid

Structural Information

Molecular Formula
C4H9O5P
SMILES
C(CC(=O)O)CP(=O)(O)O
InChI
InChI=1S/C4H9O5P/c5-4(6)2-1-3-10(7,8)9/h1-3H2,(H,5,6)(H2,7,8,9)
InChIKey
UYRFPODVSLYSCO-UHFFFAOYSA-N
Compound name
4-phosphonobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

603
Patents

168.01875 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02603 135.2
[M+Na]+ 191.00797 142.0
[M-H]- 167.01147 130.5
[M+NH4]+ 186.05257 154.0
[M+K]+ 206.98191 141.3
[M+H-H2O]+ 151.01601 129.2
[M+HCOO]- 213.01695 159.2
[M+CH3COO]- 227.03260 169.7
[M+Na-2H]- 188.99342 137.8
[M]+ 168.01820 136.3
[M]- 168.01930 136.3
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