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]+ 171.06836 127.7
[M+Na]+ 193.05030 135.8
[M-H]- 169.05380 131.3
[M+NH4]+ 188.09490 141.8
[M+K]+ 209.02424 135.1
[M+H-H2O]+ 153.05834 116.2
[M+HCOO]- 215.05928 144.5
[M+CH3COO]- 229.07493 180.5
[M+Na-2H]- 191.03575 132.8
[M]+ 170.06053 136.8
[M]- 170.06163 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.