CID 135274332

4-bromo-5-(cyclopropylmethyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CN1C(=C(C=N1)Br)CC2CC2
InChI
InChI=1S/C8H11BrN2/c1-11-8(4-6-2-3-6)7(9)5-10-11/h5-6H,2-4H2,1H3
InChIKey
MRIGFESRPAHEEG-UHFFFAOYSA-N
Compound name
4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

214.01056 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01784 143.5
[M+Na]+ 236.99978 158.4
[M-H]- 213.00328 151.4
[M+NH4]+ 232.04438 161.0
[M+K]+ 252.97372 146.7
[M+H-H2O]+ 197.00782 142.3
[M+HCOO]- 259.00876 164.7
[M+CH3COO]- 273.02441 188.1
[M+Na-2H]- 234.98523 149.5
[M]+ 214.01001 164.1
[M]- 214.01111 164.1
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