CID 63124281

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

Structural Information

Molecular Formula
C9H16N4
SMILES
CC1(CCNCC1)C2=NN=CN2C
InChI
InChI=1S/C9H16N4/c1-9(3-5-10-6-4-9)8-12-11-7-13(8)2/h7,10H,3-6H2,1-2H3
InChIKey
HKQOGHGDNGWMIF-UHFFFAOYSA-N
Compound name
4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 141.9
[M+Na]+ 203.12672 149.1
[M-H]- 179.13022 141.5
[M+NH4]+ 198.17132 159.3
[M+K]+ 219.10066 146.2
[M+H-H2O]+ 163.13476 132.9
[M+HCOO]- 225.13570 157.6
[M+CH3COO]- 239.15135 152.9
[M+Na-2H]- 201.11217 146.5
[M]+ 180.13695 136.6
[M]- 180.13805 136.6
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.