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]+ 183.12404 142.1
[M+Na]+ 205.10598 149.4
[M-H]- 181.10948 140.5
[M+NH4]+ 200.15058 156.8
[M+K]+ 221.07992 145.4
[M+H-H2O]+ 165.11402 133.2
[M+HCOO]- 227.11496 156.9
[M+CH3COO]- 241.13061 152.5
[M+Na-2H]- 203.09143 144.8
[M]+ 182.11621 135.4
[M]- 182.11731 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.