CID 25658249

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

Structural Information

Molecular Formula
C8H14N4
SMILES
CN1C=NN=C1C2CCNCC2
InChI
InChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-2-4-9-5-3-7/h6-7,9H,2-5H2,1H3
InChIKey
LBGLYAJNIDZGGO-UHFFFAOYSA-N
Compound name
4-(4-methyl-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

166.12184 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 138.4
[M+Na]+ 189.11106 145.0
[M-H]- 165.11456 137.7
[M+NH4]+ 184.15566 154.3
[M+K]+ 205.08500 142.1
[M+H-H2O]+ 149.11910 129.0
[M+HCOO]- 211.12004 154.3
[M+CH3COO]- 225.13569 149.3
[M+Na-2H]- 187.09651 142.4
[M]+ 166.12129 132.4
[M]- 166.12239 132.4
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

patents stripe