CID 9898854

2,5-oxazolidinedione, 4-(1-methylethyl)-, (4s)-

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC(C)[C@H]1C(=O)OC(=O)N1
InChI
InChI=1S/C6H9NO3/c1-3(2)4-5(8)10-6(9)7-4/h3-4H,1-2H3,(H,7,9)/t4-/m0/s1
InChIKey
XNCNNYXFGGTEMT-BYPYZUCNSA-N
Compound name
(4S)-4-propan-2-yl-1,3-oxazolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

279
Patents

143.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 127.1
[M+Na]+ 166.04746 135.4
[M-H]- 142.05096 128.9
[M+NH4]+ 161.09206 147.2
[M+K]+ 182.02140 135.5
[M+H-H2O]+ 126.05550 122.2
[M+HCOO]- 188.05644 146.8
[M+CH3COO]- 202.07209 170.6
[M+Na-2H]- 164.03291 130.5
[M]+ 143.05769 126.0
[M]- 143.05879 126.0
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