CID 13032

N-isopropylaniline

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CC(C)NC1=CC=CC=C1

InChI

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

InChIKey

FRCFWPVMFJMNDP-UHFFFAOYSA-N

Compound name

N-propan-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 17
References: 4529
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	128.4
[M+Na]+	158.094018	134.7
[M-H]-	134.097524	132.0
[M+NH4]+	153.138623	149.9
[M+K]+	174.067958	133.2
[M+H-H2O]+	118.102060	122.7
[M+HCOO]-	180.103001	153.0
[M+CH3COO]-	194.118651	177.0
[M+Na-2H]-	156.079466	135.7
[M]+	135.10425142	126.9
[M]-	135.10534858	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe