CID 103544

Propylamphetamine

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CCCNC(C)CC1=CC=CC=C1

InChI

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

InChIKey

SNPGTHLGFHVIDA-UHFFFAOYSA-N

Compound name

1-phenyl-N-propylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 147
Patents: 177.15175 Da
Monoisotopic Mass: 3.1
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	142.4
[M+Na]+	200.14097	147.4
[M-H]-	176.14447	145.4
[M+NH4]+	195.18557	162.2
[M+K]+	216.11491	145.2
[M+H-H2O]+	160.14901	136.0
[M+HCOO]-	222.14995	166.0
[M+CH3COO]-	236.16560	186.1
[M+Na-2H]-	198.12642	148.0
[M]+	177.15120	142.0
[M]-	177.15230	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe