CID 61685214

4-(4-chloro-1h-pyrazol-1-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C8H12ClN3
SMILES
C1CNCCC1N2C=C(C=N2)Cl
InChI
InChI=1S/C8H12ClN3/c9-7-5-11-12(6-7)8-1-3-10-4-2-8/h5-6,8,10H,1-4H2
InChIKey
QIVLZAHUIMYJEM-UHFFFAOYSA-N
Compound name
4-(4-chloropyrazol-1-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.07198 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.079256 139.9
[M+Na]+ 208.061198 147.1
[M-H]- 184.064704 140.2
[M+NH4]+ 203.105803 157.1
[M+K]+ 224.035138 142.6
[M+H-H2O]+ 168.069240 131.4
[M+HCOO]- 230.070181 152.4
[M+CH3COO]- 244.085831 151.1
[M+Na-2H]- 206.046646 143.4
[M]+ 185.07143142 135.0
[M]- 185.07252858 135.0
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

patents stripe