CID 462154

Propanoic acid, 2,2-dimethyl-, (5-oxo-3-pyrazinyl-1,2,4-oxadiazol-4(5h)-yl)methyl ester

Structural Information

Molecular Formula
C12H14N4O4
SMILES
CC(C)(C)C(=O)OCN1C(=NOC1=O)C2=NC=CN=C2
InChI
InChI=1S/C12H14N4O4/c1-12(2,3)10(17)19-7-16-9(15-20-11(16)18)8-6-13-4-5-14-8/h4-6H,7H2,1-3H3
InChIKey
PDCUJMDUVXJZRQ-UHFFFAOYSA-N
Compound name
(5-oxo-3-pyrazin-2-yl-1,2,4-oxadiazol-4-yl)methyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10878 161.6
[M+Na]+ 301.09072 171.4
[M-H]- 277.09422 164.7
[M+NH4]+ 296.13532 172.7
[M+K]+ 317.06466 170.3
[M+H-H2O]+ 261.09876 152.5
[M+HCOO]- 323.09970 179.7
[M+CH3COO]- 337.11535 196.1
[M+Na-2H]- 299.07617 166.9
[M]+ 278.10095 167.0
[M]- 278.10205 167.0
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.