CID 61276907

2-(5-methyl-1h-1,2,4-triazol-3-yl)piperidine dihydrochloride

Structural Information

Molecular Formula
C8H14N4
SMILES
CC1=NC(=NN1)C2CCCCN2
InChI
InChI=1S/C8H14N4/c1-6-10-8(12-11-6)7-4-2-3-5-9-7/h7,9H,2-5H2,1H3,(H,10,11,12)
InChIKey
UBKCTLGZRHZIND-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

166.12184 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.129116 139.1
[M+Na]+ 189.111058 145.4
[M-H]- 165.114564 137.1
[M+NH4]+ 184.155663 154.3
[M+K]+ 205.084998 141.5
[M+H-H2O]+ 149.119100 130.0
[M+HCOO]- 211.120041 153.6
[M+CH3COO]- 225.135691 149.4
[M+Na-2H]- 187.096506 142.6
[M]+ 166.12129142 131.3
[M]- 166.12238858 131.3
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.