CID 66688314

3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C7H8N2O2
SMILES
CC1=NOC(=N1)C2CC(=O)C2
InChI
InChI=1S/C7H8N2O2/c1-4-8-7(11-9-4)5-2-6(10)3-5/h5H,2-3H2,1H3
InChIKey
COVLBGUOFHZQIL-UHFFFAOYSA-N
Compound name
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

152.05858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 122.2
[M+Na]+ 175.047798 130.6
[M-H]- 151.051304 127.4
[M+NH4]+ 170.092403 135.0
[M+K]+ 191.021738 133.6
[M+H-H2O]+ 135.055840 110.9
[M+HCOO]- 197.056781 143.6
[M+CH3COO]- 211.072431 177.9
[M+Na-2H]- 173.033246 128.3
[M]+ 152.05803142 132.4
[M]- 152.05912858 132.4
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