CID 136791

2,2-dimethyltetrahydrofuran

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CC1(CCCO1)C

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7-6/h3-5H2,1-2H3

InChIKey

ZPDIRKNRUWXYLJ-UHFFFAOYSA-N

Compound name

2,2-dimethyloxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2565
Patents: 100.08881 Da
Monoisotopic Mass: 1.2
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]+	101.09609	118.1
[M+Na]+	123.07803	125.5
[M-H]-	99.081534	122.3
[M+NH4]+	118.12263	143.8
[M+K]+	139.05197	126.8
[M+H-H2O]+	83.086070	114.4
[M+HCOO]-	145.08701	140.7
[M+CH3COO]-	159.10266	164.7
[M+Na-2H]-	121.06348	125.9
[M]+	100.08826	117.0
[M]-	100.08936	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe