CID 98323

1679-47-6

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

CC1CCOC1=O

InChI

InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3

InChIKey

QGLBZNZGBLRJGS-UHFFFAOYSA-N

Compound name

3-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 8333
Patents: 100.05243 Da
Monoisotopic Mass: 0.8
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]+	101.05971	117.0
[M+Na]+	123.04165	127.8
[M+NH4]+	118.08625	125.9
[M+K]+	139.01559	124.7
[M-H]-	99.045154	119.4
[M+Na-2H]-	121.02710	121.4
[M]+	100.05188	119.0
[M]-	100.05298	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe