CID 18802

3-(2-hydroxypropyl)-5-methyl-2-oxazolidinone

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC1CN(C(=O)O1)CC(C)O

InChI

InChI=1S/C7H13NO3/c1-5(9)3-8-4-6(2)11-7(8)10/h5-6,9H,3-4H2,1-2H3

InChIKey

HJXDCFUIDHJETK-UHFFFAOYSA-N

Compound name

3-(2-hydroxypropyl)-5-methyl-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 268
Patents: 159.08954 Da
Monoisotopic Mass: 0.1
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]+	160.09682	133.2
[M+Na]+	182.07876	140.7
[M-H]-	158.08226	134.7
[M+NH4]+	177.12336	152.7
[M+K]+	198.05270	141.1
[M+H-H2O]+	142.08680	127.9
[M+HCOO]-	204.08774	152.3
[M+CH3COO]-	218.10339	174.5
[M+Na-2H]-	180.06421	136.0
[M]+	159.08899	133.1
[M]-	159.09009	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe