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	134.4
[M+Na]+	186.08894	142.9
[M-H]-	162.09244	138.1
[M+NH4]+	181.13354	155.3
[M+K]+	202.06288	140.3
[M+H-H2O]+	146.09698	128.8
[M+HCOO]-	208.09792	159.6
[M+CH3COO]-	222.11357	181.2
[M+Na-2H]-	184.07439	140.0
[M]+	163.09917	134.4
[M]-	163.10027	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe