CID 60136550

1328640-35-2

Structural Information

Molecular Formula
C9H13ClN2
SMILES
C1CCC(C1)N2C(=CC=N2)CCl
InChI
InChI=1S/C9H13ClN2/c10-7-9-5-6-11-12(9)8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKey
JMFZWOQTWNDMRI-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-cyclopentylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07672 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 141.1
[M+Na]+ 207.06594 149.2
[M-H]- 183.06944 144.6
[M+NH4]+ 202.11054 162.3
[M+K]+ 223.03988 145.7
[M+H-H2O]+ 167.07398 133.5
[M+HCOO]- 229.07492 158.3
[M+CH3COO]- 243.09057 154.0
[M+Na-2H]- 205.05139 143.0
[M]+ 184.07617 140.2
[M]- 184.07727 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.