CID 136709427

2287343-86-4

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CCOC(=O)C1CNC2=NC=NN2C1
InChI
InChI=1S/C8H12N4O2/c1-2-14-7(13)6-3-9-8-10-5-11-12(8)4-6/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKey
QJSILWRWGHWGRG-UHFFFAOYSA-N
Compound name
ethyl 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.09602 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.10330 143.4
[M+Na]+ 219.08524 151.1
[M-H]- 195.08874 140.9
[M+NH4]+ 214.12984 159.3
[M+K]+ 235.05918 148.8
[M+H-H2O]+ 179.09328 134.9
[M+HCOO]- 241.09422 158.9
[M+CH3COO]- 255.10987 179.7
[M+Na-2H]- 217.07069 148.0
[M]+ 196.09547 141.7
[M]- 196.09657 141.7
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.