CID 18968227

1-(2,3-dimethylphenyl)ethan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1=C(C(=CC=C1)C(C)N)C

InChI

InChI=1S/C10H15N/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6,9H,11H2,1-3H3

InChIKey

BCMVLFXVTXOVBQ-UHFFFAOYSA-N

Compound name

1-(2,3-dimethylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 149.12045 Da
Monoisotopic Mass: 1.9
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]+	150.12773	132.7
[M+Na]+	172.10967	145.4
[M+NH4]+	167.15427	142.1
[M+K]+	188.08361	138.9
[M-H]-	148.11317	136.2
[M+Na-2H]-	170.09512	139.8
[M]+	149.11990	135.5
[M]-	149.12100	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe