CID 68352

547-65-9

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C=C1CCOC1=O

InChI

InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h1-3H2

InChIKey

GSLDEZOOOSBFGP-UHFFFAOYSA-N

Compound name

3-methylideneoxolan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 128
References: 3873
Patents: 98.03678 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]+	99.044056	114.3
[M+Na]+	121.02600	122.8
[M-H]-	97.029504	118.7
[M+NH4]+	116.07060	138.1
[M+K]+	136.99994	123.3
[M+H-H2O]+	81.034040	110.3
[M+HCOO]-	143.03498	137.9
[M+CH3COO]-	157.05063	163.3
[M+Na-2H]-	119.01145	120.9
[M]+	98.036231	113.0
[M]-	98.037329	113.0

Literature stripe

literature stripe

Patent stripe

patents stripe