CID 21156154

92526-26-6

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CCCC(CC)C1CC(=O)OC1=O

InChI

InChI=1S/C10H16O3/c1-3-5-7(4-2)8-6-9(11)13-10(8)12/h7-8H,3-6H2,1-2H3

InChIKey

MNNDPZPOEAWHCE-UHFFFAOYSA-N

Compound name

3-hexan-3-yloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 184.10994 Da
Monoisotopic Mass: 2.5
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	140.5
[M+Na]+	207.09916	147.5
[M-H]-	183.10266	144.5
[M+NH4]+	202.14376	161.0
[M+K]+	223.07310	147.5
[M+H-H2O]+	167.10720	135.7
[M+HCOO]-	229.10814	161.6
[M+CH3COO]-	243.12379	182.6
[M+Na-2H]-	205.08461	142.5
[M]+	184.10939	142.2
[M]-	184.11049	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe