CID 135988488

26904-02-9

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

20
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 143.4
[M+Na]+ 245.05328 154.1
[M-H]- 221.05678 148.0
[M+NH4]+ 240.09788 159.2
[M+K]+ 261.02722 152.7
[M+H-H2O]+ 205.06132 135.9
[M+HCOO]- 267.06226 165.9
[M+CH3COO]- 281.07791 183.8
[M+Na-2H]- 243.03873 149.2
[M]+ 222.06351 147.9
[M]- 222.06461 147.9
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