CID 16788472

3-chloro-4-(cyclopentyloxy)aniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

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

InChI

InChI=1S/C11H14ClNO/c12-10-7-8(13)5-6-11(10)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2

InChIKey

OSMCMRFNSNOEJM-UHFFFAOYSA-N

Compound name

3-chloro-4-cyclopentyloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.07639 Da
Monoisotopic Mass: 3.1
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]+	212.083666	146.3
[M+Na]+	234.065608	153.9
[M-H]-	210.069114	152.3
[M+NH4]+	229.110213	167.2
[M+K]+	250.039548	149.4
[M+H-H2O]+	194.073650	140.6
[M+HCOO]-	256.074591	165.6
[M+CH3COO]-	270.090241	185.8
[M+Na-2H]-	232.051056	148.8
[M]+	211.07584142	144.8
[M]-	211.07693858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe