CID 162595

50607-64-2

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

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

InChI

InChI=1S/C14H19NO2/c1-4-7-11(2)10-15-13-9-6-5-8-12(13)14(16)17-3/h5-6,8-11H,4,7H2,1-3H3

InChIKey

DLMYZQZLWRLQNN-UHFFFAOYSA-N

Compound name

methyl 2-(2-methylpentylideneamino)benzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 127
Patents: 233.14159 Da
Monoisotopic Mass: 3.4
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]+	234.148866	155.2
[M+Na]+	256.130808	161.1
[M-H]-	232.134314	159.9
[M+NH4]+	251.175413	173.6
[M+K]+	272.104748	159.7
[M+H-H2O]+	216.138850	148.2
[M+HCOO]-	278.139791	179.5
[M+CH3COO]-	292.155441	197.7
[M+Na-2H]-	254.116256	158.3
[M]+	233.14104142	158.5
[M]-	233.14213858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe