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

17
Patents

126.04293 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05021 120.9
[M+Na]+ 149.03215 131.0
[M-H]- 125.03565 123.2
[M+NH4]+ 144.07675 141.1
[M+K]+ 165.00609 132.0
[M+H-H2O]+ 109.04019 114.7
[M+HCOO]- 171.04113 143.7
[M+CH3COO]- 185.05678 169.8
[M+Na-2H]- 147.01760 127.8
[M]+ 126.04238 123.6
[M]- 126.04348 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