CID 69217

1-methylhydantoin

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CN1CC(=O)NC1=O
InChI
InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
InChIKey
RHYBFKMFHLPQPH-UHFFFAOYSA-N
Compound name
1-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

15
References

3470
Patents

114.04293 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 119.8
[M+Na]+ 137.03215 129.1
[M-H]- 113.03565 119.7
[M+NH4]+ 132.07675 141.1
[M+K]+ 153.00609 127.9
[M+H-H2O]+ 97.040190 114.1
[M+HCOO]- 159.04113 140.5
[M+CH3COO]- 173.05678 164.3
[M+Na-2H]- 135.01760 124.3
[M]+ 114.04238 117.0
[M]- 114.04348 117.0
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