CID 110591

Ethylidene methyl anthranilate

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC=NC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C10H11NO2/c1-3-11-9-7-5-4-6-8(9)10(12)13-2/h3-7H,1-2H3

InChIKey

CARKMBGHKLICNI-UHFFFAOYSA-N

Compound name

methyl 2-(ethylideneamino)benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 177.07898 Da
Monoisotopic Mass: 1.4
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]+	178.086256	136.1
[M+Na]+	200.068198	144.0
[M-H]-	176.071704	141.4
[M+NH4]+	195.112803	156.8
[M+K]+	216.042138	143.1
[M+H-H2O]+	160.076240	129.8
[M+HCOO]-	222.077181	162.8
[M+CH3COO]-	236.092831	184.7
[M+Na-2H]-	198.053646	142.7
[M]+	177.07843142	138.6
[M]-	177.07952858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe