CID 39043

41874-33-3

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1CC(C(=O)O1)C2=CC=CC=N2

InChI

InChI=1S/C10H11NO2/c1-7-6-8(10(12)13-7)9-4-2-3-5-11-9/h2-5,7-8H,6H2,1H3

InChIKey

SMMBEYMXNYKKEY-UHFFFAOYSA-N

Compound name

5-methyl-3-pyridin-2-yloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.07898 Da
Monoisotopic Mass: 1.3
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]+	178.08626	136.6
[M+Na]+	200.06820	149.6
[M+NH4]+	195.11280	145.2
[M+K]+	216.04214	145.4
[M-H]-	176.07170	140.9
[M+Na-2H]-	198.05365	143.3
[M]+	177.07843	139.6
[M]-	177.07953	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.