CID 213536

Isopropylamphetamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)NC(C)CC1=CC=CC=C1

InChI

InChI=1S/C12H19N/c1-10(2)13-11(3)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3

InChIKey

PJXXJRMRHFYMEY-UHFFFAOYSA-N

Compound name

1-phenyl-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 177.15175 Da
Monoisotopic Mass: 2.9
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]+	178.15903	142.8
[M+Na]+	200.14097	154.2
[M+NH4]+	195.18557	151.8
[M+K]+	216.11491	147.4
[M-H]-	176.14447	146.0
[M+Na-2H]-	198.12642	149.8
[M]+	177.15120	145.3
[M]-	177.15230	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe