CID 17608819

3-(4-isopropylphenyl)propan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)C1=CC=C(C=C1)CCCN

InChI

InChI=1S/C12H19N/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5-8,10H,3-4,9,13H2,1-2H3

InChIKey

RNWADJRXWKNYLC-UHFFFAOYSA-N

Compound name

3-(4-propan-2-ylphenyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 177.15175 Da
Monoisotopic Mass: 2.7
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]+	178.15903	142.2
[M+Na]+	200.14097	154.0
[M+NH4]+	195.18557	151.2
[M+K]+	216.11491	146.8
[M-H]-	176.14447	145.5
[M+Na-2H]-	198.12642	148.8
[M]+	177.15120	144.7
[M]-	177.15230	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe