CID 91623561

3-(chloromethyl)-4,5,6,7-tetrahydro-1h-indazole hydrochloride

Structural Information

Molecular Formula
C8H11ClN2
SMILES
C1CCC2=C(C1)C(=NN2)CCl
InChI
InChI=1S/C8H11ClN2/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-5H2,(H,10,11)
InChIKey
VBUSJORKMODRCW-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4,5,6,7-tetrahydro-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06108 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06836 135.4
[M+Na]+ 193.05030 143.8
[M-H]- 169.05380 135.1
[M+NH4]+ 188.09490 156.1
[M+K]+ 209.02424 139.0
[M+H-H2O]+ 153.05834 129.0
[M+HCOO]- 215.05928 149.1
[M+CH3COO]- 229.07493 147.6
[M+Na-2H]- 191.03575 140.7
[M]+ 170.06053 132.8
[M]- 170.06163 132.8
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.