CID 3469206

5,6-dimethylmorpholine-2,3-dione

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1C(OC(=O)C(=O)N1)C
InChI
InChI=1S/C6H9NO3/c1-3-4(2)10-6(9)5(8)7-3/h3-4H,1-2H3,(H,7,8)
InChIKey
RVXHYESVPAJQTO-UHFFFAOYSA-N
Compound name
5,6-dimethylmorpholine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

143.05824 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 126.4
[M+Na]+ 166.047458 135.0
[M-H]- 142.050964 128.3
[M+NH4]+ 161.092063 145.1
[M+K]+ 182.021398 134.7
[M+H-H2O]+ 126.055500 121.1
[M+HCOO]- 188.056441 144.9
[M+CH3COO]- 202.072091 171.2
[M+Na-2H]- 164.032906 131.7
[M]+ 143.05769142 124.3
[M]- 143.05878858 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