CID 136313211

3-methyl-1-(piperidin-4-yl)-1h-1,2,4-triazol-5-ol

Structural Information

Molecular Formula
C8H14N4O
SMILES
CC1=NN(C(=O)N1)C2CCNCC2
InChI
InChI=1S/C8H14N4O/c1-6-10-8(13)12(11-6)7-2-4-9-5-3-7/h7,9H,2-5H2,1H3,(H,10,11,13)
InChIKey
USQBXXFEWJNNLW-UHFFFAOYSA-N
Compound name
5-methyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 142.1
[M+Na]+ 205.105978 149.4
[M-H]- 181.109484 140.5
[M+NH4]+ 200.150583 156.8
[M+K]+ 221.079918 145.4
[M+H-H2O]+ 165.114020 133.2
[M+HCOO]- 227.114961 156.9
[M+CH3COO]- 241.130611 152.5
[M+Na-2H]- 203.091426 144.8
[M]+ 182.11621142 135.4
[M]- 182.11730858 135.4
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.