CID 84669820

5-bromo-3-cyclopropyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CN1C(=CC(=N1)C2CC2)Br
InChI
InChI=1S/C7H9BrN2/c1-10-7(8)4-6(9-10)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
DROZTSKAVSCYAX-UHFFFAOYSA-N
Compound name
5-bromo-3-cyclopropyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.9949 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 139.3
[M+Na]+ 222.98412 154.6
[M-H]- 198.98762 147.4
[M+NH4]+ 218.02872 157.2
[M+K]+ 238.95806 143.1
[M+H-H2O]+ 182.99216 138.2
[M+HCOO]- 244.99310 160.8
[M+CH3COO]- 259.00875 185.4
[M+Na-2H]- 220.96957 145.7
[M]+ 199.99435 159.5
[M]- 199.99545 159.5
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

patents stripe