CID 263186

N-(3-methylbut-2-en-1-yl)aniline

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC(=CCNC1=CC=CC=C1)C

InChI

InChI=1S/C11H15N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3

InChIKey

KTOUJJBMKPFUNA-UHFFFAOYSA-N

Compound name

N-(3-methylbut-2-enyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 161.12045 Da
Monoisotopic Mass: 3.4
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]+	162.12773	137.4
[M+Na]+	184.10967	149.4
[M+NH4]+	179.15427	146.4
[M+K]+	200.08361	141.9
[M-H]-	160.11317	140.6
[M+Na-2H]-	182.09512	144.9
[M]+	161.11990	139.9
[M]-	161.12100	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe