CID 69216

5-methylhydantoin

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CC1C(=O)NC(=O)N1
InChI
InChI=1S/C4H6N2O2/c1-2-3(7)6-4(8)5-2/h2H,1H3,(H2,5,6,7,8)
InChIKey
VMAQYKGITHDWKL-UHFFFAOYSA-N
Compound name
5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2040
Patents

114.04293 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 121.0
[M+Na]+ 137.032148 129.9
[M-H]- 113.035654 119.5
[M+NH4]+ 132.076753 141.5
[M+K]+ 153.006088 127.8
[M+H-H2O]+ 97.040190 115.5
[M+HCOO]- 159.041131 140.1
[M+CH3COO]- 173.056781 161.7
[M+Na-2H]- 135.017596 124.9
[M]+ 114.04238142 116.4
[M]- 114.04347858 116.4
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