CID 410083

3,4-dimethylphenethylamine

Structural Information

Molecular Formula

C₁₀H₁₅N

SMILES

CC1=C(C=C(C=C1)CCN)C

InChI

InChI=1S/C10H15N/c1-8-3-4-10(5-6-11)7-9(8)2/h3-4,7H,5-6,11H2,1-2H3

InChIKey

IQXUVSNUSQIQCJ-UHFFFAOYSA-N

Compound name

2-(3,4-dimethylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 149.12045 Da
Monoisotopic Mass: 2.0
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]+	150.12773	132.2
[M+Na]+	172.10967	145.3
[M+NH4]+	167.15427	141.7
[M+K]+	188.08361	138.0
[M-H]-	148.11317	135.9
[M+Na-2H]-	170.09512	139.7
[M]+	149.11990	135.2
[M]-	149.12100	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe