CID 52689

3-amino-3-phosphonobutanoic acid

Structural Information

Molecular Formula
C4H10NO5P
SMILES
CC(CC(=O)O)(N)P(=O)(O)O
InChI
InChI=1S/C4H10NO5P/c1-4(5,2-3(6)7)11(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)
InChIKey
FCZSLDKFCPPVAD-UHFFFAOYSA-N
Compound name
3-amino-3-phosphonobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.02966 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.036936 139.0
[M+Na]+ 206.018878 145.1
[M-H]- 182.022384 133.9
[M+NH4]+ 201.063483 156.5
[M+K]+ 221.992818 144.7
[M+H-H2O]+ 166.026920 133.1
[M+HCOO]- 228.027861 161.7
[M+CH3COO]- 242.043511 174.9
[M+Na-2H]- 204.004326 142.0
[M]+ 183.02911142 137.5
[M]- 183.03020858 137.5
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