CID 130118854

1473422-96-6

Structural Information

Molecular Formula
C11H16O3
SMILES
C1CC2(C1=O)CCC3(CC2)OCCO3
InChI
InChI=1S/C11H16O3/c12-9-1-2-10(9)3-5-11(6-4-10)13-7-8-14-11/h1-8H2
InChIKey
WRDZWRQPHGXIMM-UHFFFAOYSA-N
Compound name
8,11-dioxadispiro[3.2.47.24]tridecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 132.0
[M+Na]+ 219.099158 136.6
[M-H]- 195.102664 140.4
[M+NH4]+ 214.143763 148.2
[M+K]+ 235.073098 140.2
[M+H-H2O]+ 179.107200 123.8
[M+HCOO]- 241.108141 148.4
[M+CH3COO]- 255.123791 182.0
[M+Na-2H]- 217.084606 139.5
[M]+ 196.10939142 136.7
[M]- 196.11048858 136.7
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

No patent data available for this compound.