CID 53363593

3-(but-3-en-1-yloxy)aniline

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C=CCCOC1=CC=CC(=C1)N

InChI

InChI=1S/C10H13NO/c1-2-3-7-12-10-6-4-5-9(11)8-10/h2,4-6,8H,1,3,7,11H2

InChIKey

KDVIBXRCWHRGGD-UHFFFAOYSA-N

Compound name

3-but-3-enoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 163.09972 Da
Monoisotopic Mass: 2.0
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	134.6
[M+Na]+	186.08894	142.0
[M-H]-	162.09244	137.8
[M+NH4]+	181.13354	155.0
[M+K]+	202.06288	139.3
[M+H-H2O]+	146.09698	128.7
[M+HCOO]-	208.09792	159.7
[M+CH3COO]-	222.11357	180.7
[M+Na-2H]-	184.07439	140.8
[M]+	163.09917	134.2
[M]-	163.10027	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe