CID 79006280

3-cyclobutoxyaniline

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC(C1)OC2=CC=CC(=C2)N

InChI

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

InChIKey

BANWSGRMSKGROO-UHFFFAOYSA-N

Compound name

3-cyclobutyloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 163.09972 Da
Monoisotopic Mass: 1.8
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	131.1
[M+Na]+	186.088938	136.6
[M-H]-	162.092444	137.1
[M+NH4]+	181.133543	144.8
[M+K]+	202.062878	137.7
[M+H-H2O]+	146.096980	119.4
[M+HCOO]-	208.097921	154.2
[M+CH3COO]-	222.113571	183.2
[M+Na-2H]-	184.074386	137.1
[M]+	163.09917142	137.3
[M]-	163.10026858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe