CID 23510850

N-acetyl glyphosate

Structural Information

Molecular Formula

C₅H₁₀NO₆P

SMILES

CC(=O)N(CC(=O)O)CP(=O)(O)O

InChI

InChI=1S/C5H10NO6P/c1-4(7)6(2-5(8)9)3-13(10,11)12/h2-3H2,1H3,(H,8,9)(H2,10,11,12)

InChIKey

BFECXRMSKVFCNB-UHFFFAOYSA-N

Compound name

2-[acetyl(phosphonomethyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 243
Patents: 211.02457 Da
Monoisotopic Mass: -2.4
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]+	212.03185	143.5
[M+Na]+	234.01379	147.9
[M+NH4]+	229.05839	146.2
[M+K]+	249.98773	148.9
[M-H]-	210.01729	137.5
[M+Na-2H]-	231.99924	141.9
[M]+	211.02402	141.5
[M]-	211.02512	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe