CID 70800682

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

199.9949 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 133.0
[M+Na]+ 222.98412 137.9
[M+NH4]+ 218.02872 138.7
[M+K]+ 238.95806 140.4
[M-H]- 198.98762 139.5
[M+Na-2H]- 220.96957 139.1
[M]+ 199.99435 135.3
[M]- 199.99545 135.3
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