CID 10975613

3-(3-hydroxypropyl)-2-oxazolidinone

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1COC(=O)N1CCCO

InChI

InChI=1S/C6H11NO3/c8-4-1-2-7-3-5-10-6(7)9/h8H,1-5H2

InChIKey

WYNTXFYGOPFHTF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 168
Patents: 145.0739 Da
Monoisotopic Mass: -0.4
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]+	146.081176	128.5
[M+Na]+	168.063118	135.7
[M-H]-	144.066624	129.7
[M+NH4]+	163.107723	148.3
[M+K]+	184.037058	136.0
[M+H-H2O]+	128.071160	122.9
[M+HCOO]-	190.072101	148.9
[M+CH3COO]-	204.087751	169.3
[M+Na-2H]-	166.048566	133.7
[M]+	145.07335142	128.3
[M]-	145.07444858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe