CID 6484448

4-(cyclopentyloxy)aniline

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4,12H2

InChIKey

BYQMUVAEWOWYTC-UHFFFAOYSA-N

Compound name

4-cyclopentyloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 146
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

No literature data available for this compound.

Patent stripe

patents stripe