CID 118784

Ema2o

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CCC1=CC=CC(=C1N=C)C

InChI

InChI=1S/C10H13N/c1-4-9-7-5-6-8(2)10(9)11-3/h5-7H,3-4H2,1-2H3

InChIKey

UUMWWWHCQIKRJM-UHFFFAOYSA-N

Compound name

N-(2-ethyl-6-methylphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 25
Patents: 147.1048 Da
Monoisotopic Mass: 4.2
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]+	148.112076	129.3
[M+Na]+	170.094018	138.1
[M-H]-	146.097524	134.9
[M+NH4]+	165.138623	151.7
[M+K]+	186.067958	136.3
[M+H-H2O]+	130.102060	123.7
[M+HCOO]-	192.103001	156.3
[M+CH3COO]-	206.118651	183.3
[M+Na-2H]-	168.079466	136.6
[M]+	147.10425142	130.8
[M]-	147.10534858	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe