CID 113027

63133-74-4

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CCN(CC#N)C1=CC=CC(=C1)C

InChI

InChI=1S/C11H14N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,8H2,1-2H3

InChIKey

XLAYCZJJQWGFAZ-UHFFFAOYSA-N

Compound name

2-(N-ethyl-3-methylanilino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 174.11569 Da
Monoisotopic Mass: 3.0
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]+	175.122966	139.9
[M+Na]+	197.104908	148.8
[M-H]-	173.108414	144.3
[M+NH4]+	192.149513	158.6
[M+K]+	213.078848	146.6
[M+H-H2O]+	157.112950	127.1
[M+HCOO]-	219.113891	161.5
[M+CH3COO]-	233.129541	199.7
[M+Na-2H]-	195.090356	145.4
[M]+	174.11514142	136.2
[M]-	174.11623858	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.