CID 28877

18063-89-3

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CCC1(CC(=O)C(O1)(C)CC)C

InChI

InChI=1S/C10H18O2/c1-5-9(3)7-8(11)10(4,6-2)12-9/h5-7H2,1-4H3

InChIKey

ZRKCXPIUZAYNFE-UHFFFAOYSA-N

Compound name

2,5-diethyl-2,5-dimethyloxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 170.13068 Da
Monoisotopic Mass: 1.9
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]+	171.137956	132.9
[M+Na]+	193.119898	141.8
[M-H]-	169.123404	137.6
[M+NH4]+	188.164503	158.4
[M+K]+	209.093838	142.0
[M+H-H2O]+	153.127940	130.3
[M+HCOO]-	215.128881	154.7
[M+CH3COO]-	229.144531	179.9
[M+Na-2H]-	191.105346	139.1
[M]+	170.13013142	135.3
[M]-	170.13122858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe