CID 12656169

46201-48-3

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CCCCCCC1CC(=O)OC1=O

InChI

InChI=1S/C10H16O3/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h8H,2-7H2,1H3

InChIKey

NTUIKGUMDLSOBX-UHFFFAOYSA-N

Compound name

3-hexyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 959
Patents: 184.10994 Da
Monoisotopic Mass: 2.6
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]+	185.11722	141.2
[M+Na]+	207.09916	150.9
[M+NH4]+	202.14376	148.5
[M+K]+	223.07310	147.3
[M-H]-	183.10266	142.6
[M+Na-2H]-	205.08461	143.5
[M]+	184.10939	142.7
[M]-	184.11049	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe