CID 6485398

2-(cyclopentyloxy)aniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

C1CCC(C1)OC2=CC=CC=C2N

InChI

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

InChIKey

FNBWQWIPPGLDPD-UHFFFAOYSA-N

Compound name

2-cyclopentyloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 70
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]+	178.122646	138.1
[M+Na]+	200.104588	143.9
[M-H]-	176.108094	144.0
[M+NH4]+	195.149193	159.2
[M+K]+	216.078528	141.4
[M+H-H2O]+	160.112630	131.6
[M+HCOO]-	222.113571	162.1
[M+CH3COO]-	236.129221	180.9
[M+Na-2H]-	198.090036	142.0
[M]+	177.11482142	134.1
[M]-	177.11591858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe