CID 62019

52836-31-4

Structural Information

Molecular Formula

C₈H₁₃Cl₂NO₂

SMILES

CC1CN(C(O1)(C)C)C(=O)C(Cl)Cl

InChI

InChI=1S/C8H13Cl2NO2/c1-5-4-11(7(12)6(9)10)8(2,3)13-5/h5-6H,4H2,1-3H3

InChIKey

YNQSILKYZQZHFJ-UHFFFAOYSA-N

Compound name

2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 6748
Patents: 225.03233 Da
Monoisotopic Mass: 1.8
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]+	226.03961	143.7
[M+Na]+	248.02155	152.8
[M-H]-	224.02505	146.1
[M+NH4]+	243.06615	164.5
[M+K]+	263.99549	150.5
[M+H-H2O]+	208.02959	140.5
[M+HCOO]-	270.03053	153.1
[M+CH3COO]-	284.04618	186.4
[M+Na-2H]-	246.00700	145.4
[M]+	225.03178	146.5
[M]-	225.03288	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe