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

2
Annotation Hits: 6
References: 8378
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	126.4
[M+Na]+	156.07836	133.3
[M-H]-	132.08186	129.9
[M+NH4]+	151.12296	148.0
[M+K]+	172.05230	130.8
[M+H-H2O]+	116.08640	120.7
[M+HCOO]-	178.08734	152.2
[M+CH3COO]-	192.10299	175.3
[M+Na-2H]-	154.06381	135.1
[M]+	133.08859	124.9
[M]-	133.08969	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe