CID 10997717

14782-52-6

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

CC1(C(=O)CCCC12OCCO2)C

InChI

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

InChIKey

NTXPNZZGKQFVJR-UHFFFAOYSA-N

Compound name

6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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	139.3
[M+Na]+	207.09916	149.4
[M+NH4]+	202.14376	150.7
[M+K]+	223.07310	142.8
[M-H]-	183.10266	143.9
[M+Na-2H]-	205.08461	145.4
[M]+	184.10939	142.2
[M]-	184.11049	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe