CID 16783052

3-(cyclopentyloxy)aniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CCC(C1)OC2=CC=CC(=C2)N

InChI

InChI=1S/C11H15NO/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,12H2

InChIKey

XQNLSQQEYXXVRM-UHFFFAOYSA-N

Compound name

3-cyclopentyloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 177.11537 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]+	178.12265	138.1
[M+Na]+	200.10459	143.9
[M-H]-	176.10809	144.0
[M+NH4]+	195.14919	159.2
[M+K]+	216.07853	141.4
[M+H-H2O]+	160.11263	131.6
[M+HCOO]-	222.11357	162.1
[M+CH3COO]-	236.12922	180.9
[M+Na-2H]-	198.09004	142.0
[M]+	177.11482	134.1
[M]-	177.11592	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe