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: 233
Patents: 223.06096 Da
Monoisotopic Mass: -1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.068236	149.9
[M+Na]+	246.050178	154.8
[M-H]-	222.053684	146.2
[M+NH4]+	241.094783	166.7
[M+K]+	262.024118	154.9
[M+H-H2O]+	206.058220	143.0
[M+HCOO]-	268.059161	173.6
[M+CH3COO]-	282.074811	186.6
[M+Na-2H]-	244.035626	149.4
[M]+	223.06041142	151.0
[M]-	223.06150858	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe