CID 12393270

2(3h)-furanone, 3-ethyldihydro-5,5-dimethyl-

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCC1CC(OC1=O)(C)C

InChI

InChI=1S/C8H14O2/c1-4-6-5-8(2,3)10-7(6)9/h6H,4-5H2,1-3H3

InChIKey

UFQMONUGYOFSIP-UHFFFAOYSA-N

Compound name

3-ethyl-5,5-dimethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 24
Patents: 142.09938 Da
Monoisotopic Mass: 1.7
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]+	143.10666	126.7
[M+Na]+	165.08860	135.5
[M-H]-	141.09210	131.4
[M+NH4]+	160.13320	151.3
[M+K]+	181.06254	136.0
[M+H-H2O]+	125.09664	123.4
[M+HCOO]-	187.09758	149.2
[M+CH3COO]-	201.11323	174.1
[M+Na-2H]-	163.07405	132.5
[M]+	142.09883	128.0
[M]-	142.09993	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe