CID 115731

64047-06-9

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CC1(C(=O)NC(=O)O1)C(C)(C)C

InChI

InChI=1S/C8H13NO3/c1-7(2,3)8(4)5(10)9-6(11)12-8/h1-4H3,(H,9,10,11)

InChIKey

ZFYNQNSJVFKHKX-UHFFFAOYSA-N

Compound name

5-tert-butyl-5-methyl-1,3-oxazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.08954 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.096816	133.5
[M+Na]+	194.078758	142.5
[M-H]-	170.082264	135.6
[M+NH4]+	189.123363	154.8
[M+K]+	210.052698	142.4
[M+H-H2O]+	154.086800	130.1
[M+HCOO]-	216.087741	152.0
[M+CH3COO]-	230.103391	175.0
[M+Na-2H]-	192.064206	139.6
[M]+	171.08899142	133.6
[M]-	171.09008858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe