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]+ 197.103296 143.4
[M+Na]+ 219.085238 151.1
[M-H]- 195.088744 140.9
[M+NH4]+ 214.129843 159.3
[M+K]+ 235.059178 148.8
[M+H-H2O]+ 179.093280 134.9
[M+HCOO]- 241.094221 158.9
[M+CH3COO]- 255.109871 179.7
[M+Na-2H]- 217.070686 148.0
[M]+ 196.09547142 141.7
[M]- 196.09656858 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.