CID 12409146

19358-05-5

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(OCC(=C)O1)C

InChI

InChI=1S/C6H10O2/c1-5-4-7-6(2,3)8-5/h1,4H2,2-3H3

InChIKey

CRGFTBZVOWHYIS-UHFFFAOYSA-N

Compound name

2,2-dimethyl-4-methylidene-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 114.06808 Da
Monoisotopic Mass: 1.0
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]+	115.07536	118.4
[M+Na]+	137.05730	127.1
[M-H]-	113.06080	123.6
[M+NH4]+	132.10190	142.4
[M+K]+	153.03124	129.1
[M+H-H2O]+	97.065340	115.3
[M+HCOO]-	159.06628	140.5
[M+CH3COO]-	173.08193	167.0
[M+Na-2H]-	135.04275	126.8
[M]+	114.06753	119.1
[M]-	114.06863	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe