CID 1726

4-aminobutylphosphonic acid

Structural Information

Molecular Formula
C4H12NO3P
SMILES
C(CCP(=O)(O)O)CN
InChI
InChI=1S/C4H12NO3P/c5-3-1-2-4-9(6,7)8/h1-5H2,(H2,6,7,8)
InChIKey
IDPXFPYGZRMMKZ-UHFFFAOYSA-N
Compound name
4-aminobutylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

447
Patents

153.05548 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.062756 135.2
[M+Na]+ 176.044698 141.6
[M-H]- 152.048204 131.2
[M+NH4]+ 171.089303 155.0
[M+K]+ 192.018638 140.5
[M+H-H2O]+ 136.052740 128.8
[M+HCOO]- 198.053681 161.4
[M+CH3COO]- 212.069331 172.5
[M+Na-2H]- 174.030146 138.3
[M]+ 153.05493142 134.7
[M]- 153.05602858 134.7
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