CID 9815914

N-acetylphosphinothricin

Structural Information

Molecular Formula
C7H14NO5P
SMILES
CC(=O)NC(CCP(=O)(C)O)C(=O)O
InChI
InChI=1S/C7H14NO5P/c1-5(9)8-6(7(10)11)3-4-14(2,12)13/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)(H,12,13)
InChIKey
VZVQOWUYAAWBCP-UHFFFAOYSA-N
Compound name
2-acetamido-4-[hydroxy(methyl)phosphoryl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

232
Patents

223.06096 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06824 149.9
[M+Na]+ 246.05018 154.8
[M-H]- 222.05368 146.2
[M+NH4]+ 241.09478 166.7
[M+K]+ 262.02412 154.9
[M+H-H2O]+ 206.05822 143.0
[M+HCOO]- 268.05916 173.6
[M+CH3COO]- 282.07481 186.6
[M+Na-2H]- 244.03563 149.4
[M]+ 223.06041 151.0
[M]- 223.06151 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.