CID 84669818

3-bromo-1-methyl-1h,4h,5h,6h-cyclopenta[c]pyrazole

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CN1C2=C(CCC2)C(=N1)Br
InChI
InChI=1S/C7H9BrN2/c1-10-6-4-2-3-5(6)7(8)9-10/h2-4H2,1H3
InChIKey
LAKJKXHBJKIKNC-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 137.9
[M+Na]+ 222.98412 151.8
[M-H]- 198.98762 143.3
[M+NH4]+ 218.02872 163.1
[M+K]+ 238.95806 141.9
[M+H-H2O]+ 182.99216 138.2
[M+HCOO]- 244.99310 158.4
[M+CH3COO]- 259.00875 154.0
[M+Na-2H]- 220.96957 143.6
[M]+ 199.99435 156.4
[M]- 199.99545 156.4
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.