CID 84680769

3-bromo-1-methyl-4,5,6,7-tetrahydro-1h-indazole

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CN1C2=C(CCCC2)C(=N1)Br
InChI
InChI=1S/C8H11BrN2/c1-11-7-5-3-2-4-6(7)8(9)10-11/h2-5H2,1H3
InChIKey
FJPKJRBGSOYJEV-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-4,5,6,7-tetrahydroindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.01056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.017836 140.2
[M+Na]+ 236.999778 152.6
[M-H]- 213.003284 144.9
[M+NH4]+ 232.044383 163.1
[M+K]+ 252.973718 142.1
[M+H-H2O]+ 197.007820 140.1
[M+HCOO]- 259.008761 158.3
[M+CH3COO]- 273.024411 155.3
[M+Na-2H]- 234.985226 147.0
[M]+ 214.01001142 157.1
[M]- 214.01110858 157.1
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