CID 93687

3,5-morpholinedione, 4-methyl-

Structural Information

Molecular Formula
C5H7NO3
SMILES
CN1C(=O)COCC1=O
InChI
InChI=1S/C5H7NO3/c1-6-4(7)2-9-3-5(6)8/h2-3H2,1H3
InChIKey
MKKLCSLYYDPKIX-UHFFFAOYSA-N
Compound name
4-methylmorpholine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

129.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 121.0
[M+Na]+ 152.03181 129.5
[M-H]- 128.03531 124.1
[M+NH4]+ 147.07641 140.6
[M+K]+ 168.00575 130.5
[M+H-H2O]+ 112.03985 115.4
[M+HCOO]- 174.04079 141.4
[M+CH3COO]- 188.05644 169.5
[M+Na-2H]- 150.01726 128.1
[M]+ 129.04204 120.1
[M]- 129.04314 120.1
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