CID 46742988

1029720-57-7

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CCOC(=O)C1=NN=C(O1)C(C)C
InChI
InChI=1S/C8H12N2O3/c1-4-12-8(11)7-10-9-6(13-7)5(2)3/h5H,4H2,1-3H3
InChIKey
AZZJHYMHIPRUOL-UHFFFAOYSA-N
Compound name
ethyl 5-propan-2-yl-1,3,4-oxadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.0848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 138.4
[M+Na]+ 207.074018 146.9
[M-H]- 183.077524 140.3
[M+NH4]+ 202.118623 156.2
[M+K]+ 223.047958 148.0
[M+H-H2O]+ 167.082060 131.5
[M+HCOO]- 229.083001 159.4
[M+CH3COO]- 243.098651 181.1
[M+Na-2H]- 205.059466 142.4
[M]+ 184.08425142 142.9
[M]- 184.08534858 142.9
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

patents stripe