CID 155973262

2648938-85-4

Structural Information

Molecular Formula
C9H14N4O2
SMILES
COC(=O)C1=NC=NN1C2CCNCC2
InChI
InChI=1S/C9H14N4O2/c1-15-9(14)8-11-6-12-13(8)7-2-4-10-5-3-7/h6-7,10H,2-5H2,1H3
InChIKey
FIMZYJRBQDAHAB-UHFFFAOYSA-N
Compound name
methyl 2-piperidin-4-yl-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11168 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 147.7
[M+Na]+ 233.10090 153.7
[M-H]- 209.10440 147.1
[M+NH4]+ 228.14550 161.5
[M+K]+ 249.07484 151.4
[M+H-H2O]+ 193.10894 138.1
[M+HCOO]- 255.10988 162.9
[M+CH3COO]- 269.12553 181.2
[M+Na-2H]- 231.08635 150.1
[M]+ 210.11113 143.5
[M]- 210.11223 143.5
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.