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

0
Patents

214.01056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01784 143.2
[M+Na]+ 236.99978 146.1
[M+NH4]+ 232.04438 148.7
[M+K]+ 252.97372 146.9
[M-H]- 213.00328 143.2
[M+Na-2H]- 234.98523 145.0
[M]+ 214.01001 142.3
[M]- 214.01111 142.3
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.