CID 137945343

2159909-20-1

Structural Information

Molecular Formula
C8H13BrN2
SMILES
CC(C)(C)CN1C=CC(=N1)Br
InChI
InChI=1S/C8H13BrN2/c1-8(2,3)6-11-5-4-7(9)10-11/h4-5H,6H2,1-3H3
InChIKey
LKHQRIJWOOTISF-UHFFFAOYSA-N
Compound name
3-bromo-1-(2,2-dimethylpropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.02621 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03349 142.1
[M+Na]+ 239.01543 154.9
[M-H]- 215.01893 146.3
[M+NH4]+ 234.06003 164.2
[M+K]+ 254.98937 144.7
[M+H-H2O]+ 199.02347 142.0
[M+HCOO]- 261.02441 161.4
[M+CH3COO]- 275.04006 185.1
[M+Na-2H]- 237.00088 149.4
[M]+ 216.02566 161.8
[M]- 216.02676 161.8
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