CID 6491

5,5-dimethylhydantoin

Structural Information

Molecular Formula
C5H8N2O2
SMILES
CC1(C(=O)NC(=O)N1)C
InChI
InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
InChIKey
YIROYDNZEPTFOL-UHFFFAOYSA-N
Compound name
5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

27
References

13683
Patents

128.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 123.9
[M+Na]+ 151.04780 133.3
[M-H]- 127.05130 122.6
[M+NH4]+ 146.09240 145.9
[M+K]+ 167.02174 131.1
[M+H-H2O]+ 111.05584 119.2
[M+HCOO]- 173.05678 142.8
[M+CH3COO]- 187.07243 164.3
[M+Na-2H]- 149.03325 128.7
[M]+ 128.05803 120.0
[M]- 128.05913 120.0
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