CID 138987728

5-(chloromethyl)-1-cyclohexyl-1h-pyrazole

Structural Information

Molecular Formula
C10H15ClN2
SMILES
C1CCC(CC1)N2C(=CC=N2)CCl
InChI
InChI=1S/C10H15ClN2/c11-8-10-6-7-12-13(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKey
DLLINTSIVLCUQZ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-cyclohexylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09238 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09966 144.4
[M+Na]+ 221.08160 151.2
[M-H]- 197.08510 147.2
[M+NH4]+ 216.12620 163.2
[M+K]+ 237.05554 147.1
[M+H-H2O]+ 181.08964 136.3
[M+HCOO]- 243.09058 159.1
[M+CH3COO]- 257.10623 156.2
[M+Na-2H]- 219.06705 147.4
[M]+ 198.09183 141.6
[M]- 198.09293 141.6
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.