CID 110469

Dtxsid6071617

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

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

InChI

InChI=1S/C14H17NO2/c1-3-4-5-8-11-15-13-10-7-6-9-12(13)14(16)17-2/h5-11H,3-4H2,1-2H3

InChIKey

IGAVEPCBGZDTJY-UHFFFAOYSA-N

Compound name

methyl 2-(hex-2-enylideneamino)benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 231.12593 Da
Monoisotopic Mass: 3.2
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]+	232.133206	153.6
[M+Na]+	254.115148	160.2
[M-H]-	230.118654	158.2
[M+NH4]+	249.159753	172.2
[M+K]+	270.089088	157.6
[M+H-H2O]+	214.123190	146.6
[M+HCOO]-	276.124131	179.2
[M+CH3COO]-	290.139781	195.3
[M+Na-2H]-	252.100596	158.0
[M]+	231.12538142	156.8
[M]-	231.12647858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.