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

13
Patents

152.05858 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 122.2
[M+Na]+ 175.04780 130.6
[M-H]- 151.05130 127.4
[M+NH4]+ 170.09240 135.0
[M+K]+ 191.02174 133.6
[M+H-H2O]+ 135.05584 110.9
[M+HCOO]- 197.05678 143.6
[M+CH3COO]- 211.07243 177.9
[M+Na-2H]- 173.03325 128.3
[M]+ 152.05803 132.4
[M]- 152.05913 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