CID 10658013

201404-86-6

Structural Information

Molecular Formula

C₁₂H₂₃NO₄

SMILES

CC1(N([C@@H](CO1)CCO)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-9(6-7-14)8-16-12(13,4)5/h9,14H,6-8H2,1-5H3/t9-/m1/s1

InChIKey

ZJICPKTZDLBRQH-SECBINFHSA-N

Compound name

tert-butyl (4R)-4-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 245.1627 Da
Monoisotopic Mass: 1.2
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]+	246.169976	156.2
[M+Na]+	268.151918	163.0
[M-H]-	244.155424	157.7
[M+NH4]+	263.196523	174.7
[M+K]+	284.125858	163.7
[M+H-H2O]+	228.159960	152.2
[M+HCOO]-	290.160901	172.5
[M+CH3COO]-	304.176551	189.6
[M+Na-2H]-	266.137366	159.3
[M]+	245.16215142	159.2
[M]-	245.16324858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe