CID 250708

N-allyl-2-methylaniline

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

CC1=CC=CC=C1NCC=C

InChI

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

InChIKey

DLQNIEANPCTPPU-UHFFFAOYSA-N

Compound name

2-methyl-N-prop-2-enylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 147.1048 Da
Monoisotopic Mass: 2.8
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]+	148.11208	131.8
[M+Na]+	170.09402	144.8
[M+NH4]+	165.13862	141.2
[M+K]+	186.06796	137.0
[M-H]-	146.09752	135.4
[M+Na-2H]-	168.07947	139.8
[M]+	147.10425	134.7
[M]-	147.10535	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe