CID 135988488

3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-ol

Structural Information

Molecular Formula
C10H10N2O4
SMILES
COC1=C(C=C(C=C1)C2=NOC(=O)N2)OC
InChI
InChI=1S/C10H10N2O4/c1-14-7-4-3-6(5-8(7)15-2)9-11-10(13)16-12-9/h3-5H,1-2H3,(H,11,12,13)
InChIKey
QJPCTSWXCGZURM-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

222.06406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 145.4
[M+Na]+ 245.05328 158.7
[M+NH4]+ 240.09788 151.6
[M+K]+ 261.02722 156.1
[M-H]- 221.05678 147.7
[M+Na-2H]- 243.03873 151.5
[M]+ 222.06351 147.7
[M]- 222.06461 147.7
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