CID 50988264

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

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CC(CNC1)CN2C=NC=N2
InChI
InChI=1S/C8H14N4/c1-2-8(4-9-3-1)5-12-7-10-6-11-12/h6-9H,1-5H2
InChIKey
OIJPPRAITGSIRG-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

166.12184 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 137.8
[M+Na]+ 189.11106 143.4
[M-H]- 165.11456 136.7
[M+NH4]+ 184.15566 153.3
[M+K]+ 205.08500 140.5
[M+H-H2O]+ 149.11910 128.0
[M+HCOO]- 211.12004 153.7
[M+CH3COO]- 225.13569 148.3
[M+Na-2H]- 187.09651 142.5
[M]+ 166.12129 131.4
[M]- 166.12239 131.4
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