CID 90062280

1569089-78-6

Structural Information

Molecular Formula

C₁₂H₂₁NO₅

SMILES

CC1(N(CC(O1)C(=O)OC)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-7-8(9(14)16-6)17-12(13,4)5/h8H,7H2,1-6H3

InChIKey

RSQHRHJTNDOFGS-UHFFFAOYSA-N

Compound name

3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 259.14197 Da
Monoisotopic Mass: 1.4
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]+	260.149246	155.7
[M+Na]+	282.131188	163.1
[M-H]-	258.134694	158.9
[M+NH4]+	277.175793	174.3
[M+K]+	298.105128	165.1
[M+H-H2O]+	242.139230	151.8
[M+HCOO]-	304.140171	173.0
[M+CH3COO]-	318.155821	193.7
[M+Na-2H]-	280.116636	158.6
[M]+	259.14142142	160.8
[M]-	259.14251858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe