CID 118275464

1440962-12-8

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

C1CC2(CCC13CC(=O)C3)OCCO2

InChI

InChI=1S/C11H16O3/c12-9-7-10(8-9)1-3-11(4-2-10)13-5-6-14-11/h1-8H2

InChIKey

UJDRCIGJTJWCOX-UHFFFAOYSA-N

Compound name

8,11-dioxadispiro[3.2.47.24]tridecan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 196.10994 Da
Monoisotopic Mass: 0.5
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]+	197.11722	132.0
[M+Na]+	219.09916	136.6
[M-H]-	195.10266	140.4
[M+NH4]+	214.14376	148.2
[M+K]+	235.07310	140.2
[M+H-H2O]+	179.10720	123.8
[M+HCOO]-	241.10814	148.4
[M+CH3COO]-	255.12379	182.0
[M+Na-2H]-	217.08461	139.5
[M]+	196.10939	136.7
[M]-	196.11049	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe