CID 102531

5-(3,4-dihydroxybenzyl)-5-methylhydantoin

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CC1(C(=O)NC(=O)N1)CC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C11H12N2O4/c1-11(9(16)12-10(17)13-11)5-6-2-3-7(14)8(15)4-6/h2-4,14-15H,5H2,1H3,(H2,12,13,16,17)
InChIKey
DKUBQWNEJMFLFD-UHFFFAOYSA-N
Compound name
5-[(3,4-dihydroxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

236.07971 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.086986 150.9
[M+Na]+ 259.068928 159.9
[M-H]- 235.072434 150.6
[M+NH4]+ 254.113533 167.3
[M+K]+ 275.042868 154.9
[M+H-H2O]+ 219.076970 145.2
[M+HCOO]- 281.077911 166.7
[M+CH3COO]- 295.093561 180.4
[M+Na-2H]- 257.054376 152.9
[M]+ 236.07916142 146.9
[M]- 236.08025858 146.9
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