CID 294496

N-allyl-4-methoxyaniline

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

COC1=CC=C(C=C1)NCC=C

InChI

InChI=1S/C10H13NO/c1-3-8-11-9-4-6-10(12-2)7-5-9/h3-7,11H,1,8H2,2H3

InChIKey

OISSOJFPFGACLI-UHFFFAOYSA-N

Compound name

4-methoxy-N-prop-2-enylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 163.09972 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]+	164.10700	135.1
[M+Na]+	186.08894	147.6
[M+NH4]+	181.13354	143.8
[M+K]+	202.06288	140.2
[M-H]-	162.09244	138.0
[M+Na-2H]-	184.07439	142.5
[M]+	163.09917	137.6
[M]-	163.10027	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe