CID 138603

3-methyloxazolidine-2,5-dione

Structural Information

Molecular Formula
C4H5NO3
SMILES
CN1CC(=O)OC1=O
InChI
InChI=1S/C4H5NO3/c1-5-2-3(6)8-4(5)7/h2H2,1H3
InChIKey
PMPAXURTFMSZSN-UHFFFAOYSA-N
Compound name
3-methyl-1,3-oxazolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

115.02694 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.034216 116.2
[M+Na]+ 138.016158 126.0
[M-H]- 114.019664 119.6
[M+NH4]+ 133.060763 138.2
[M+K]+ 153.990098 127.1
[M+H-H2O]+ 98.024200 111.4
[M+HCOO]- 160.025141 139.0
[M+CH3COO]- 174.040791 166.2
[M+Na-2H]- 136.001606 122.5
[M]+ 115.02639142 116.9
[M]- 115.02748858 116.9
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