CID 66509447

1354704-68-9

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CC(C)CN1C=CC(=N1)Br
InChI
InChI=1S/C7H11BrN2/c1-6(2)5-10-4-3-7(8)9-10/h3-4,6H,5H2,1-2H3
InChIKey
QCKZMRSJDCPZIC-UHFFFAOYSA-N
Compound name
3-bromo-1-(2-methylpropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.01056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.017836 136.4
[M+Na]+ 224.999778 148.8
[M-H]- 201.003284 140.5
[M+NH4]+ 220.044383 158.7
[M+K]+ 240.973718 138.9
[M+H-H2O]+ 185.007820 135.9
[M+HCOO]- 247.008761 156.6
[M+CH3COO]- 261.024411 183.4
[M+Na-2H]- 222.985226 142.6
[M]+ 202.01001142 155.7
[M]- 202.01110858 155.7
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