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

20
Patents

199.9949 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 139.6
[M+Na]+ 222.984118 154.1
[M-H]- 198.987624 147.3
[M+NH4]+ 218.028723 157.3
[M+K]+ 238.958058 142.8
[M+H-H2O]+ 182.992160 138.3
[M+HCOO]- 244.993101 161.1
[M+CH3COO]- 259.008751 154.9
[M+Na-2H]- 220.969566 146.7
[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