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

literature stripe

Patent stripe

patents stripe