CID 4169153

Methyl 2-(benzylideneamino)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: 267
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	138.0
[M+Na]+	200.06820	149.9
[M+NH4]+	195.11280	146.1
[M+K]+	216.04214	143.3
[M-H]-	176.07170	140.4
[M+Na-2H]-	198.05365	145.3
[M]+	177.07843	140.2
[M]-	177.07953	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe