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

7
Patents

180.1375 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 141.9
[M+Na]+ 203.126718 149.1
[M-H]- 179.130224 141.5
[M+NH4]+ 198.171323 159.3
[M+K]+ 219.100658 146.2
[M+H-H2O]+ 163.134760 132.9
[M+HCOO]- 225.135701 157.6
[M+CH3COO]- 239.151351 152.9
[M+Na-2H]- 201.112166 146.5
[M]+ 180.13695142 136.6
[M]- 180.13804858 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

patents stripe