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]+ 167.12912 139.1
[M+Na]+ 189.11106 145.4
[M-H]- 165.11456 137.1
[M+NH4]+ 184.15566 154.3
[M+K]+ 205.08500 141.5
[M+H-H2O]+ 149.11910 130.0
[M+HCOO]- 211.12004 153.6
[M+CH3COO]- 225.13569 149.4
[M+Na-2H]- 187.09651 142.6
[M]+ 166.12129 131.3
[M]- 166.12239 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.