CID 853489

374565-62-5

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC=CC1=CC(=C(C=C1)OC)N

InChI

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

InChIKey

PZIDOSMYTMUSKG-UHFFFAOYSA-N

Compound name

2-methoxy-5-prop-1-enylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.09972 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]+	164.10700	134.9
[M+Na]+	186.08894	147.6
[M+NH4]+	181.13354	143.6
[M+K]+	202.06288	140.6
[M-H]-	162.09244	137.8
[M+Na-2H]-	184.07439	141.7
[M]+	163.09917	137.5
[M]-	163.10027	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.