CID 2779334

3-(cyclopentyloxy)-4-methoxyaniline hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

COC1=C(C=C(C=C1)N)OC2CCCC2

InChI

InChI=1S/C12H17NO2/c1-14-11-7-6-9(13)8-12(11)15-10-4-2-3-5-10/h6-8,10H,2-5,13H2,1H3

InChIKey

RRZIWWXZGHOMDM-UHFFFAOYSA-N

Compound name

3-cyclopentyloxy-4-methoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 220
Patents: 207.12593 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]+	208.13321	145.6
[M+Na]+	230.11515	151.8
[M-H]-	206.11865	151.7
[M+NH4]+	225.15975	165.8
[M+K]+	246.08909	149.6
[M+H-H2O]+	190.12319	138.9
[M+HCOO]-	252.12413	169.4
[M+CH3COO]-	266.13978	187.1
[M+Na-2H]-	228.10060	148.3
[M]+	207.12538	143.8
[M]-	207.12648	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe