CID 126990075

3-bromo-1-(cyclopropylmethyl)-1h-pyrazole

Structural Information

Molecular Formula
C7H9BrN2
SMILES
C1CC1CN2C=CC(=N2)Br
InChI
InChI=1S/C7H9BrN2/c8-7-3-4-10(9-7)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKey
DRUOMKWRNNSXHW-UHFFFAOYSA-N
Compound name
3-bromo-1-(cyclopropylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 139.6
[M+Na]+ 222.98412 154.1
[M-H]- 198.98762 147.3
[M+NH4]+ 218.02872 157.3
[M+K]+ 238.95806 142.8
[M+H-H2O]+ 182.99216 138.3
[M+HCOO]- 244.99310 161.1
[M+CH3COO]- 259.00875 154.9
[M+Na-2H]- 220.96957 146.7
[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