CID 10996998

2224-52-4

Structural Information

Molecular Formula
C4H5NO3
SMILES
C[C@H]1C(=O)OC(=O)N1
InChI
InChI=1S/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)/t2-/m0/s1
InChIKey
DTETYCNJKAUROO-REOHCLBHSA-N
Compound name
(4S)-4-methyl-1,3-oxazolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

115.02694 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.03422 117.5
[M+Na]+ 138.01616 126.8
[M-H]- 114.01966 119.5
[M+NH4]+ 133.06076 138.7
[M+K]+ 153.99010 126.9
[M+H-H2O]+ 98.024200 112.7
[M+HCOO]- 160.02514 138.8
[M+CH3COO]- 174.04079 163.6
[M+Na-2H]- 136.00161 123.2
[M]+ 115.02639 116.3
[M]- 115.02749 116.3
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