CID 11171389

7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CC1(CC2(CCC1=O)OCCO2)C

InChI

InChI=1S/C10H16O3/c1-9(2)7-10(4-3-8(9)11)12-5-6-13-10/h3-7H2,1-2H3

InChIKey

DZIBLEREBJNQIF-UHFFFAOYSA-N

Compound name

7,7-dimethyl-1,4-dioxaspiro[4.5]decan-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 103
Patents: 184.10994 Da
Monoisotopic Mass: 0.8
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	137.0
[M+Na]+	207.09916	144.1
[M-H]-	183.10266	143.8
[M+NH4]+	202.14376	160.2
[M+K]+	223.07310	145.3
[M+H-H2O]+	167.10720	133.2
[M+HCOO]-	229.10814	155.2
[M+CH3COO]-	243.12379	177.9
[M+Na-2H]-	205.08461	144.1
[M]+	184.10939	135.1
[M]-	184.11049	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe