CID 121597432

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

Structural Information

Molecular Formula
C8H11ClN2
SMILES
C1CC(C1)N2C=CC(=N2)CCl
InChI
InChI=1S/C8H11ClN2/c9-6-7-4-5-11(10-7)8-2-1-3-8/h4-5,8H,1-3,6H2
InChIKey
DXCCSQIRJYHNHS-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-cyclobutylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06108 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 127.7
[M+Na]+ 193.050298 135.8
[M-H]- 169.053804 131.3
[M+NH4]+ 188.094903 141.8
[M+K]+ 209.024238 135.1
[M+H-H2O]+ 153.058340 116.2
[M+HCOO]- 215.059281 144.5
[M+CH3COO]- 229.074931 180.5
[M+Na-2H]- 191.035746 132.8
[M]+ 170.06053142 136.8
[M]- 170.06162858 136.8
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.