CID 171338318

7-(bromomethyl)-1-methyl-4,5,6,7-tetrahydro-1h-indazole

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CN1C2=C(CCCC2CBr)C=N1
InChI
InChI=1S/C9H13BrN2/c1-12-9-7(5-10)3-2-4-8(9)6-11-12/h6-7H,2-5H2,1H3
InChIKey
FNLYLIPFOCZRSS-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-1-methyl-4,5,6,7-tetrahydroindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02621 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03349 144.9
[M+Na]+ 251.01543 156.8
[M-H]- 227.01893 149.4
[M+NH4]+ 246.06003 167.2
[M+K]+ 266.98937 146.1
[M+H-H2O]+ 211.02347 144.5
[M+HCOO]- 273.02441 162.6
[M+CH3COO]- 287.04006 159.5
[M+Na-2H]- 249.00088 151.0
[M]+ 228.02566 162.0
[M]- 228.02676 162.0
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.