CID 62406028

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

Structural Information

Molecular Formula
C8H14N4
SMILES
CN1C=NN=C1C2CCCCN2
InChI
InChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-4-2-3-5-9-7/h6-7,9H,2-5H2,1H3
InChIKey
YLICHTZAMDDIIM-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.