CID 50988293

4-(4-isopropyl-4h-1,2,4-triazol-3-yl)piperidine dihydrochloride

Structural Information

Molecular Formula
C10H18N4
SMILES
CC(C)N1C=NN=C1C2CCNCC2
InChI
InChI=1S/C10H18N4/c1-8(2)14-7-12-13-10(14)9-3-5-11-6-4-9/h7-9,11H,3-6H2,1-2H3
InChIKey
SWGWCGKFUYIGHB-UHFFFAOYSA-N
Compound name
4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

194.15315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16043 147.4
[M+Na]+ 217.14237 152.8
[M-H]- 193.14587 146.5
[M+NH4]+ 212.18697 162.0
[M+K]+ 233.11631 149.8
[M+H-H2O]+ 177.15041 137.7
[M+HCOO]- 239.15135 161.6
[M+CH3COO]- 253.16700 157.3
[M+Na-2H]- 215.12782 149.1
[M]+ 194.15260 141.5
[M]- 194.15370 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.