CID 12153

N-propylaniline

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCCNC1=CC=CC=C1

InChI

InChI=1S/C9H13N/c1-2-8-10-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

InChIKey

CDZOGLJOFWFVOZ-UHFFFAOYSA-N

Compound name

N-propylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 10099
Patents: 135.1048 Da
Monoisotopic Mass: 2.5
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	127.7
[M+Na]+	158.094018	134.2
[M-H]-	134.097524	131.2
[M+NH4]+	153.138623	149.3
[M+K]+	174.067958	132.4
[M+H-H2O]+	118.102060	121.9
[M+HCOO]-	180.103001	153.3
[M+CH3COO]-	194.118651	176.2
[M+Na-2H]-	156.079466	136.3
[M]+	135.10425142	126.9
[M]-	135.10534858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe