CID 25658249

297172-18-0

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

92
Patents

166.12184 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.129116 138.4
[M+Na]+ 189.111058 145.0
[M-H]- 165.114564 137.7
[M+NH4]+ 184.155663 154.3
[M+K]+ 205.084998 142.1
[M+H-H2O]+ 149.119100 129.0
[M+HCOO]- 211.120041 154.3
[M+CH3COO]- 225.135691 149.3
[M+Na-2H]- 187.096506 142.4
[M]+ 166.12129142 132.4
[M]- 166.12238858 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