CID 4794

Glufosinate

Structural Information

Molecular Formula

C₅H₁₂NO₄P

SMILES

CP(=O)(CCC(C(=O)O)N)O

InChI

InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)

InChIKey

IAJOBQBIJHVGMQ-UHFFFAOYSA-N

Compound name

2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 751
References: 111312
Patents: 181.0504 Da
Monoisotopic Mass: -5.0
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]+	182.05768	140.8
[M+Na]+	204.03962	146.5
[M-H]-	180.04312	136.7
[M+NH4]+	199.08422	159.1
[M+K]+	220.01356	146.1
[M+H-H2O]+	164.04766	134.2
[M+HCOO]-	226.04860	165.0
[M+CH3COO]-	240.06425	178.5
[M+Na-2H]-	202.02507	141.1
[M]+	181.04985	140.0
[M]-	181.05095	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe