CID 98170

40541-41-1

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CC(C)CCC1CCOC1=O

InChI

InChI=1S/C9H16O2/c1-7(2)3-4-8-5-6-11-9(8)10/h7-8H,3-6H2,1-2H3

InChIKey

SGQTUZRWTKNTGV-UHFFFAOYSA-N

Compound name

3-(3-methylbutyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 156.11504 Da
Monoisotopic Mass: 2.4
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]+	157.12232	135.2
[M+Na]+	179.10426	144.8
[M+NH4]+	174.14886	143.3
[M+K]+	195.07820	141.6
[M-H]-	155.10776	137.1
[M+Na-2H]-	177.08971	138.1
[M]+	156.11449	136.8
[M]-	156.11559	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe