CID 90190338

Schembl15758215

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

C1CC1N2CC(OC2=O)CO

InChI

InChI=1S/C7H11NO3/c9-4-6-3-8(5-1-2-5)7(10)11-6/h5-6,9H,1-4H2

InChIKey

UREIIWHZFZIDNT-UHFFFAOYSA-N

Compound name

3-cyclopropyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 157.0739 Da
Monoisotopic Mass: -0.2
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]+	158.08118	133.0
[M+Na]+	180.06312	142.7
[M-H]-	156.06662	138.7
[M+NH4]+	175.10772	147.7
[M+K]+	196.03706	141.0
[M+H-H2O]+	140.07116	126.8
[M+HCOO]-	202.07210	153.1
[M+CH3COO]-	216.08775	175.8
[M+Na-2H]-	178.04857	137.3
[M]+	157.07335	134.9
[M]-	157.07445	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.