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]+ 171.068356 135.4
[M+Na]+ 193.050298 143.8
[M-H]- 169.053804 135.1
[M+NH4]+ 188.094903 156.1
[M+K]+ 209.024238 139.0
[M+H-H2O]+ 153.058340 129.0
[M+HCOO]- 215.059281 149.1
[M+CH3COO]- 229.074931 147.6
[M+Na-2H]- 191.035746 140.7
[M]+ 170.06053142 132.8
[M]- 170.06162858 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.