CID 10888254

3-(3,4-dimethylphenyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇N

SMILES

CC1=C(C=C(C=C1)CCCN)C

InChI

InChI=1S/C11H17N/c1-9-5-6-11(4-3-7-12)8-10(9)2/h5-6,8H,3-4,7,12H2,1-2H3

InChIKey

WKJJRNLQAUJOFM-UHFFFAOYSA-N

Compound name

3-(3,4-dimethylphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 163.1361 Da
Monoisotopic Mass: 2.3
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]+	164.14338	136.8
[M+Na]+	186.12532	149.6
[M+NH4]+	181.16992	146.1
[M+K]+	202.09926	142.1
[M-H]-	162.12882	140.4
[M+Na-2H]-	184.11077	144.0
[M]+	163.13555	139.7
[M]-	163.13665	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe