CID 6115

Aniline

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N

InChI

InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

InChIKey

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Compound name

aniline

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 8377
References: 117888
Patents: 93.057846 Da
Monoisotopic Mass: 0.9
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]+	94.065122	114.8
[M+Na]+	116.04706	127.9
[M+NH4]+	111.09167	124.9
[M+K]+	132.02100	121.1
[M-H]-	92.050570	118.5
[M+Na-2H]-	114.03251	123.7
[M]+	93.057297	117.7
[M]-	93.058395	117.7

Literature stripe

literature stripe

Patent stripe

patents stripe