CID 68525

N-allylaniline

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C=CCNC1=CC=CC=C1

InChI

InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2

InChIKey

LQFLWKPCQITJIH-UHFFFAOYSA-N

Compound name

N-prop-2-enylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 5885
Patents: 133.08914 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]+	134.09642	127.8
[M+Na]+	156.07836	140.6
[M+NH4]+	151.12296	137.3
[M+K]+	172.05230	132.7
[M-H]-	132.08186	131.3
[M+Na-2H]-	154.06381	136.2
[M]+	133.08859	130.5
[M]-	133.08969	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe