CID 50896697

3-(chloromethyl)-1-cyclopentyl-1h-pyrazole

Structural Information

Molecular Formula

C₉H₁₃ClN₂

SMILES

C1CCC(C1)N2C=CC(=N2)CCl

InChI

InChI=1S/C9H13ClN2/c10-7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7H2

InChIKey

AVXQYBVQSTYEEM-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-1-cyclopentylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 184.07672 Da
Monoisotopic Mass: 1.8
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]+	185.08400	138.8
[M+Na]+	207.06594	150.6
[M+NH4]+	202.11054	148.1
[M+K]+	223.03988	146.9
[M-H]-	183.06944	141.2
[M+Na-2H]-	205.05139	145.2
[M]+	184.07617	141.3
[M]-	184.07727	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe