CID 54592632

2-[(dimethyl-1h-1,2,4-triazol-1-yl)methyl]piperidine

Structural Information

Molecular Formula
C10H18N4
SMILES
CC1=NN(C(=N1)C)CC2CCCCN2
InChI
InChI=1S/C10H18N4/c1-8-12-9(2)14(13-8)7-10-5-3-4-6-11-10/h10-11H,3-7H2,1-2H3
InChIKey
INDKHEXXHYDJLL-UHFFFAOYSA-N
Compound name
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.15315 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.16043 147.6
[M+Na]+ 217.14237 154.4
[M-H]- 193.14587 147.0
[M+NH4]+ 212.18697 162.7
[M+K]+ 233.11631 150.8
[M+H-H2O]+ 177.15041 138.1
[M+HCOO]- 239.15135 162.9
[M+CH3COO]- 253.16700 158.0
[M+Na-2H]- 215.12782 149.8
[M]+ 194.15260 142.7
[M]- 194.15370 142.7
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.