CID 253225

N-methallylaniline

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC(=C)CNC1=CC=CC=C1

InChI

InChI=1S/C10H13N/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3

InChIKey

JCBGGIHYIHYKEX-UHFFFAOYSA-N

Compound name

N-(2-methylprop-2-enyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 147.1048 Da
Monoisotopic Mass: 3.2
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]+	148.112076	131.7
[M+Na]+	170.094018	137.9
[M-H]-	146.097524	135.1
[M+NH4]+	165.138623	152.7
[M+K]+	186.067958	135.6
[M+H-H2O]+	130.102060	125.9
[M+HCOO]-	192.103001	156.2
[M+CH3COO]-	206.118651	179.1
[M+Na-2H]-	168.079466	138.5
[M]+	147.10425142	129.9
[M]-	147.10534858	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe