CID 5576

Trimethadione

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1(C(=O)N(C(=O)O1)C)C
InChI
InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
InChIKey
IRYJRGCIQBGHIV-UHFFFAOYSA-N
Compound name
3,5,5-trimethyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

549
References

8921
Patents

143.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 122.0
[M+Na]+ 166.04746 132.8
[M-H]- 142.05096 125.9
[M+NH4]+ 161.09206 145.4
[M+K]+ 182.02140 133.7
[M+H-H2O]+ 126.05550 118.3
[M+HCOO]- 188.05644 144.3
[M+CH3COO]- 202.07209 173.0
[M+Na-2H]- 164.03291 128.2
[M]+ 143.05769 124.3
[M]- 143.05879 124.3
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