CID 89107675

3-cyclopropyl-5-methoxyaniline

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

COC1=CC(=CC(=C1)N)C2CC2

InChI

InChI=1S/C10H13NO/c1-12-10-5-8(7-2-3-7)4-9(11)6-10/h4-7H,2-3,11H2,1H3

InChIKey

SDIRKIXZEMNULK-UHFFFAOYSA-N

Compound name

3-cyclopropyl-5-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 163.09972 Da
Monoisotopic Mass: 2.1
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	134.5
[M+Na]+	186.08894	148.5
[M+NH4]+	181.13354	144.3
[M+K]+	202.06288	143.4
[M-H]-	162.09244	145.7
[M+Na-2H]-	184.07439	145.0
[M]+	163.09917	140.7
[M]-	163.10027	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe