CID 13879152

3-(prop-1-en-2-yl)aniline

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

CC(=C)C1=CC(=CC=C1)N

InChI

InChI=1S/C9H11N/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1,10H2,2H3

InChIKey

HUAHZCFLLQRNRO-UHFFFAOYSA-N

Compound name

3-prop-1-en-2-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 133.08914 Da
Monoisotopic Mass: 2.4
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	140.4
[M+NH4]+	151.12296	137.1
[M+K]+	172.05230	133.8
[M-H]-	132.08186	131.0
[M+Na-2H]-	154.06381	135.2
[M]+	133.08859	130.4
[M]-	133.08969	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe