CID 19626923

2-(cyclopropylmethoxy)aniline

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC1COC2=CC=CC=C2N

InChI

InChI=1S/C10H13NO/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8H,5-7,11H2

InChIKey

CYXGZZBWPVAYOW-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 163.09972 Da
Monoisotopic Mass: 1.9
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]+	164.106996	131.3
[M+Na]+	186.088938	140.3
[M-H]-	162.092444	138.6
[M+NH4]+	181.133543	146.8
[M+K]+	202.062878	137.4
[M+H-H2O]+	146.096980	124.8
[M+HCOO]-	208.097921	156.8
[M+CH3COO]-	222.113571	183.5
[M+Na-2H]-	184.074386	138.3
[M]+	163.09917142	132.9
[M]-	163.10026858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe