CID 102666

Methyl (s)-2,5-dioxooxazolidine-4-propionate

Structural Information

Molecular Formula
C7H9NO5
SMILES
COC(=O)CCC1C(=O)OC(=O)N1
InChI
InChI=1S/C7H9NO5/c1-12-5(9)3-2-4-6(10)13-7(11)8-4/h4H,2-3H2,1H3,(H,8,11)
InChIKey
JRZZMWDRALHNFH-UHFFFAOYSA-N
Compound name
methyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

187.04807 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05535 135.5
[M+Na]+ 210.03729 143.4
[M-H]- 186.04079 137.2
[M+NH4]+ 205.08189 153.7
[M+K]+ 226.01123 143.7
[M+H-H2O]+ 170.04533 130.1
[M+HCOO]- 232.04627 155.5
[M+CH3COO]- 246.06192 176.5
[M+Na-2H]- 208.02274 138.7
[M]+ 187.04752 137.0
[M]- 187.04862 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe