CID 3474206

4-tert-butyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(C)(C)C1COC(=O)N1
InChI
InChI=1S/C7H13NO2/c1-7(2,3)5-4-10-6(9)8-5/h5H,4H2,1-3H3,(H,8,9)
InChIKey
WKUHGFGTMLOSKM-UHFFFAOYSA-N
Compound name
4-tert-butyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

114
Patents

143.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 130.4
[M+Na]+ 166.083858 137.9
[M-H]- 142.087364 131.9
[M+NH4]+ 161.128463 150.7
[M+K]+ 182.057798 137.9
[M+H-H2O]+ 126.091900 125.8
[M+HCOO]- 188.092841 148.8
[M+CH3COO]- 202.108491 169.9
[M+Na-2H]- 164.069306 135.9
[M]+ 143.09409142 128.6
[M]- 143.09518858 128.6
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