CID 567124

2865-82-9

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCC1(CCC(=O)O1)C

InChI

InChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3-5H2,1-2H3

InChIKey

MJFDQFVZHVJKFU-UHFFFAOYSA-N

Compound name

5-ethyl-5-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 128.08372 Da
Monoisotopic Mass: 1.3
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]+	129.09100	125.5
[M+Na]+	151.07294	136.1
[M+NH4]+	146.11754	135.6
[M+K]+	167.04688	130.9
[M-H]-	127.07644	127.8
[M+Na-2H]-	149.05839	131.0
[M]+	128.08317	127.7
[M]-	128.08427	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe