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]+	212.08367	144.5
[M+Na]+	234.06561	156.8
[M+NH4]+	229.11021	154.3
[M+K]+	250.03955	151.1
[M-H]-	210.06911	149.1
[M+Na-2H]-	232.05106	151.8
[M]+	211.07584	147.7
[M]-	211.07694	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe