CID 285097

Dihydrojasmone lactone

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCCCCC1(CCC(=O)O1)C

InChI

InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3

InChIKey

ALWUKGXLBSQSMA-UHFFFAOYSA-N

Compound name

5-hexyl-5-methyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 1360
Patents: 184.14633 Da
Monoisotopic Mass: 3.3
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]+	185.153606	142.1
[M+Na]+	207.135548	148.6
[M-H]-	183.139054	145.8
[M+NH4]+	202.180153	164.6
[M+K]+	223.109488	148.4
[M+H-H2O]+	167.143590	137.8
[M+HCOO]-	229.144531	163.5
[M+CH3COO]-	243.160181	182.0
[M+Na-2H]-	205.120996	146.7
[M]+	184.14578142	144.0
[M]-	184.14687858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe