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]+ 201.002176 139.3
[M+Na]+ 222.984118 154.6
[M-H]- 198.987624 147.4
[M+NH4]+ 218.028723 157.2
[M+K]+ 238.958058 143.1
[M+H-H2O]+ 182.992160 138.2
[M+HCOO]- 244.993101 160.8
[M+CH3COO]- 259.008751 185.4
[M+Na-2H]- 220.969566 145.7
[M]+ 199.99435142 159.5
[M]- 199.99544858 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