CID 12275362

3-methyl-1,3-oxazolidine-2,4-dione

Structural Information

Molecular Formula
C4H5NO3
SMILES
CN1C(=O)COC1=O
InChI
InChI=1S/C4H5NO3/c1-5-3(6)2-8-4(5)7/h2H2,1H3
InChIKey
SHZGPUUYVAWLLN-UHFFFAOYSA-N
Compound name
3-methyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

115.02694 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.03422 116.2
[M+Na]+ 138.01616 126.0
[M-H]- 114.01966 119.6
[M+NH4]+ 133.06076 138.2
[M+K]+ 153.99010 127.1
[M+H-H2O]+ 98.024200 111.4
[M+HCOO]- 160.02514 139.0
[M+CH3COO]- 174.04079 166.2
[M+Na-2H]- 136.00161 122.5
[M]+ 115.02639 116.9
[M]- 115.02749 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

literature stripe

Patent stripe

patents stripe