CID 10997717

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.117216 137.0
[M+Na]+ 207.099158 144.1
[M-H]- 183.102664 143.8
[M+NH4]+ 202.143763 160.2
[M+K]+ 223.073098 145.3
[M+H-H2O]+ 167.107200 133.2
[M+HCOO]- 229.108141 155.2
[M+CH3COO]- 243.123791 177.9
[M+Na-2H]- 205.084606 144.1
[M]+ 184.10939142 135.1
[M]- 184.11048858 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe