CID 66521271

3-cyclobutylaniline

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

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

InChI

InChI=1S/C10H13N/c11-10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8H,1,3-4,11H2

InChIKey

CJJBVKSLLOQPKD-UHFFFAOYSA-N

Compound name

3-cyclobutylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 147.1048 Da
Monoisotopic Mass: 2.5
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]+	148.11208	129.9
[M+Na]+	170.09402	138.0
[M+NH4]+	165.13862	135.9
[M+K]+	186.06796	133.0
[M-H]-	146.09752	132.1
[M+Na-2H]-	168.07947	136.0
[M]+	147.10425	130.5
[M]-	147.10535	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe