CID 132316046

Sodium 3-(1-methylpiperidin-4-yl)-1h-1,2,4-triazole-5-carboxylate

Structural Information

Molecular Formula
C9H14N4O2
SMILES
CN1CCC(CC1)C2=NC(=NN2)C(=O)O
InChI
InChI=1S/C9H14N4O2/c1-13-4-2-6(3-5-13)7-10-8(9(14)15)12-11-7/h6H,2-5H2,1H3,(H,14,15)(H,10,11,12)
InChIKey
MUXOCCSRSKGMKZ-UHFFFAOYSA-N
Compound name
5-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 148.5
[M+Na]+ 233.10090 155.0
[M-H]- 209.10440 147.0
[M+NH4]+ 228.14550 161.9
[M+K]+ 249.07484 151.8
[M+H-H2O]+ 193.10894 139.6
[M+HCOO]- 255.10988 162.2
[M+CH3COO]- 269.12553 180.6
[M+Na-2H]- 231.08635 149.7
[M]+ 210.11113 143.0
[M]- 210.11223 143.0
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.