CID 2802885

85665-60-7

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC(C)(C)N1CC(OC1=O)CO

InChI

InChI=1S/C8H15NO3/c1-8(2,3)9-4-6(5-10)12-7(9)11/h6,10H,4-5H2,1-3H3

InChIKey

SSMIUHOOMMVZNL-UHFFFAOYSA-N

Compound name

3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 173.1052 Da
Monoisotopic Mass: 0.3
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]+	174.112476	137.3
[M+Na]+	196.094418	145.1
[M-H]-	172.097924	139.0
[M+NH4]+	191.139023	156.6
[M+K]+	212.068358	145.4
[M+H-H2O]+	156.102460	132.6
[M+HCOO]-	218.103401	155.5
[M+CH3COO]-	232.119051	176.3
[M+Na-2H]-	194.079866	141.8
[M]+	173.10465142	137.7
[M]-	173.10574858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe