CID 4169153

Methyl [(phenylmethylidene)amino]acetate

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC(=O)CN=CC1=CC=CC=C1

InChI

InChI=1S/C10H11NO2/c1-13-10(12)8-11-7-9-5-3-2-4-6-9/h2-7H,8H2,1H3

InChIKey

YOIONBBMZSLNLR-UHFFFAOYSA-N

Compound name

methyl 2-(benzylideneamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 300
Patents: 177.07898 Da
Monoisotopic Mass: 1.6
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]+	178.08626	136.7
[M+Na]+	200.06820	143.7
[M-H]-	176.07170	141.7
[M+NH4]+	195.11280	157.2
[M+K]+	216.04214	142.8
[M+H-H2O]+	160.07624	130.2
[M+HCOO]-	222.07718	163.5
[M+CH3COO]-	236.09283	183.6
[M+Na-2H]-	198.05365	144.0
[M]+	177.07843	138.9
[M]-	177.07953	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe