CID 3081

Dimethadione

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC1(C(=O)NC(=O)O1)C
InChI
InChI=1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
InChIKey
JYJFNDQBESEHJQ-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

261
References

2590
Patents

129.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 123.6
[M+Na]+ 152.03181 133.6
[M+NH4]+ 147.07641 131.9
[M+K]+ 168.00575 130.1
[M-H]- 128.03531 123.8
[M+Na-2H]- 150.01726 127.6
[M]+ 129.04204 124.9
[M]- 129.04314 124.9
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