CID 60871746

1-(2-bromoethyl)-4-methyl-1h-pyrazole

Structural Information

Molecular Formula
C6H9BrN2
SMILES
CC1=CN(N=C1)CCBr
InChI
InChI=1S/C6H9BrN2/c1-6-4-8-9(5-6)3-2-7/h4-5H,2-3H2,1H3
InChIKey
ZNVBHEBIDPKSAE-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.9949 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00218 131.1
[M+Na]+ 210.98412 144.2
[M-H]- 186.98762 135.2
[M+NH4]+ 206.02872 154.0
[M+K]+ 226.95806 134.2
[M+H-H2O]+ 170.99216 130.7
[M+HCOO]- 232.99310 152.5
[M+CH3COO]- 247.00875 179.8
[M+Na-2H]- 208.96957 139.0
[M]+ 187.99435 150.6
[M]- 187.99545 150.6
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

No patent data available for this compound.