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]+ 210.134936 148.6
[M+Na]+ 232.116878 153.5
[M-H]- 208.120384 146.8
[M+NH4]+ 227.161483 161.6
[M+K]+ 248.090818 149.7
[M+H-H2O]+ 192.124920 139.1
[M+HCOO]- 254.125861 163.3
[M+CH3COO]- 268.141511 181.7
[M+Na-2H]- 230.102326 151.3
[M]+ 209.12711142 140.6
[M]- 209.12820858 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.