CID 61269201

5-amino-2-(cyclopentyloxy)benzonitrile

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

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

InChI

InChI=1S/C12H14N2O/c13-8-9-7-10(14)5-6-12(9)15-11-3-1-2-4-11/h5-7,11H,1-4,14H2

InChIKey

GZPMPQMTTUODKA-UHFFFAOYSA-N

Compound name

5-amino-2-cyclopentyloxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.11061 Da
Monoisotopic Mass: 2.2
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]+	203.11789	148.5
[M+Na]+	225.09983	158.9
[M+NH4]+	220.14443	153.7
[M+K]+	241.07377	150.8
[M-H]-	201.10333	144.9
[M+Na-2H]-	223.08528	152.2
[M]+	202.11006	147.9
[M]-	202.11116	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe