CID 54592625

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

Structural Information

Molecular Formula
C10H18N4
SMILES
CC1=NN(C(=N1)C)CC2CCCNC2
InChI
InChI=1S/C10H18N4/c1-8-12-9(2)14(13-8)7-10-4-3-5-11-6-10/h10-11H,3-7H2,1-2H3
InChIKey
ANUYVQZAPFNGTA-UHFFFAOYSA-N
Compound name
3-[(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

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.160426 147.6
[M+Na]+ 217.142368 154.4
[M-H]- 193.145874 147.0
[M+NH4]+ 212.186973 162.7
[M+K]+ 233.116308 150.8
[M+H-H2O]+ 177.150410 138.1
[M+HCOO]- 239.151351 162.9
[M+CH3COO]- 253.167001 158.0
[M+Na-2H]- 215.127816 149.8
[M]+ 194.15260142 142.7
[M]- 194.15369858 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.