CID 131449897

2126162-46-5

Structural Information

Molecular Formula
C9H15N5O
SMILES
CNC(=O)C1=NNC(=N1)C2CCNCC2
InChI
InChI=1S/C9H15N5O/c1-10-9(15)8-12-7(13-14-8)6-2-4-11-5-3-6/h6,11H,2-5H2,1H3,(H,10,15)(H,12,13,14)
InChIKey
PHOULJCXJNFEHA-UHFFFAOYSA-N
Compound name
N-methyl-5-piperidin-4-yl-1H-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.12766 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13494 148.6
[M+Na]+ 232.11688 153.5
[M-H]- 208.12038 146.8
[M+NH4]+ 227.16148 161.6
[M+K]+ 248.09082 149.7
[M+H-H2O]+ 192.12492 139.1
[M+HCOO]- 254.12586 163.3
[M+CH3COO]- 268.14151 181.7
[M+Na-2H]- 230.10233 151.3
[M]+ 209.12711 140.6
[M]- 209.12821 140.6
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.