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]+ 186.07926 139.9
[M+Na]+ 208.06120 147.1
[M-H]- 184.06470 140.2
[M+NH4]+ 203.10580 157.1
[M+K]+ 224.03514 142.6
[M+H-H2O]+ 168.06924 131.4
[M+HCOO]- 230.07018 152.4
[M+CH3COO]- 244.08583 151.1
[M+Na-2H]- 206.04665 143.4
[M]+ 185.07143 135.0
[M]- 185.07253 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