CID 110667

5561-08-0

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1CC(=O)OC1CCC(C)C

InChI

InChI=1S/C10H18O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3

InChIKey

IENYEYYNDKAHNV-UHFFFAOYSA-N

Compound name

4-methyl-5-(3-methylbutyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 170.13068 Da
Monoisotopic Mass: 2.7
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]+	171.13796	139.0
[M+Na]+	193.11990	148.8
[M+NH4]+	188.16450	147.0
[M+K]+	209.09384	145.6
[M-H]-	169.12340	141.0
[M+Na-2H]-	191.10535	141.5
[M]+	170.13013	140.8
[M]-	170.13123	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe