CID 3007

Amphetamine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC(CC1=CC=CC=C1)N

InChI

InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3

InChIKey

KWTSXDURSIMDCE-UHFFFAOYSA-N

Compound name

1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 23722
References: 108144
Patents: 135.1048 Da
Monoisotopic Mass: 1.8
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]+	136.112076	129.0
[M+Na]+	158.094018	135.3
[M-H]-	134.097524	132.0
[M+NH4]+	153.138623	150.2
[M+K]+	174.067958	133.5
[M+H-H2O]+	118.102060	123.3
[M+HCOO]-	180.103001	153.0
[M+CH3COO]-	194.118651	176.3
[M+Na-2H]-	156.079466	135.2
[M]+	135.10425142	126.5
[M]-	135.10534858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe