CID 10608036

7774-47-2

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

CCCCC1(CCC(=O)O1)CCCC

InChI

InChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3

InChIKey

KZEKELDMLDBVFV-UHFFFAOYSA-N

Compound name

5,5-dibutyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 118
Patents: 198.16199 Da
Monoisotopic Mass: 3.7
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]+	199.16927	147.8
[M+Na]+	221.15121	157.3
[M+NH4]+	216.19581	157.0
[M+K]+	237.12515	150.9
[M-H]-	197.15471	149.8
[M+Na-2H]-	219.13666	151.9
[M]+	198.16144	149.7
[M]-	198.16254	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe