CID 2997893

26332-10-5

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CC1(C(=O)NC(=O)N1)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C12H12N2O4/c1-12(10(15)13-11(16)14-12)5-7-2-3-8-9(4-7)18-6-17-8/h2-4H,5-6H2,1H3,(H2,13,14,15,16)
InChIKey
GLRYEKZAKBJMNV-UHFFFAOYSA-N
Compound name
5-(1,3-benzodioxol-5-ylmethyl)-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

5
Patents

248.07971 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 152.2
[M+Na]+ 271.068928 161.2
[M-H]- 247.072434 156.3
[M+NH4]+ 266.113533 169.2
[M+K]+ 287.042868 159.1
[M+H-H2O]+ 231.076970 146.7
[M+HCOO]- 293.077911 168.0
[M+CH3COO]- 307.093561 164.2
[M+Na-2H]- 269.054376 155.5
[M]+ 248.07916142 151.3
[M]- 248.08025858 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe