CID 71306170

3-(chloromethyl)-1h,4h,5h,6h-cyclopenta[c]pyrazole hydrochloride

Structural Information

Molecular Formula
C7H9ClN2
SMILES
C1CC2=C(C1)NN=C2CCl
InChI
InChI=1S/C7H9ClN2/c8-4-7-5-2-1-3-6(5)9-10-7/h1-4H2,(H,9,10)
InChIKey
BEYMQHICXKOEFP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04543 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 132.6
[M+Na]+ 179.03465 142.3
[M-H]- 155.03815 133.0
[M+NH4]+ 174.07925 155.7
[M+K]+ 195.00859 138.1
[M+H-H2O]+ 139.04269 126.6
[M+HCOO]- 201.04363 148.9
[M+CH3COO]- 215.05928 145.9
[M+Na-2H]- 177.02010 136.7
[M]+ 156.04488 131.8
[M]- 156.04598 131.8
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.