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

1
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 133.6
[M+Na]+ 222.98412 138.3
[M+NH4]+ 218.02872 139.4
[M+K]+ 238.95806 140.5
[M-H]- 198.98762 140.1
[M+Na-2H]- 220.96957 139.9
[M]+ 199.99435 135.9
[M]- 199.99545 135.9
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