CID 11506452

861334-81-8

Structural Information

Molecular Formula
C5H6N2O2
SMILES
CC1=NC(=NO1)C(=O)C
InChI
InChI=1S/C5H6N2O2/c1-3(8)5-6-4(2)9-7-5/h1-2H3
InChIKey
UWGQVCYBHXWAJK-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

126.04293 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.050206 120.9
[M+Na]+ 149.032148 131.0
[M-H]- 125.035654 123.2
[M+NH4]+ 144.076753 141.1
[M+K]+ 165.006088 132.0
[M+H-H2O]+ 109.040190 114.7
[M+HCOO]- 171.041131 143.7
[M+CH3COO]- 185.056781 169.8
[M+Na-2H]- 147.017596 127.8
[M]+ 126.04238142 123.6
[M]- 126.04347858 123.6
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