CID 177798680

5-(bromomethyl)-2-methyl-4,5,6,7-tetrahydro-2h-indazole

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CN1C=C2CC(CCC2=N1)CBr
InChI
InChI=1S/C9H13BrN2/c1-12-6-8-4-7(5-10)2-3-9(8)11-12/h6-7H,2-5H2,1H3
InChIKey
KGJNUCKZECDJDH-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.033486 144.9
[M+Na]+ 251.015428 156.8
[M-H]- 227.018934 149.4
[M+NH4]+ 246.060033 167.2
[M+K]+ 266.989368 146.1
[M+H-H2O]+ 211.023470 144.5
[M+HCOO]- 273.024411 162.6
[M+CH3COO]- 287.040061 159.5
[M+Na-2H]- 249.000876 151.0
[M]+ 228.02566142 162.0
[M]- 228.02675858 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.