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]+ 197.11722 141.9
[M+Na]+ 219.09916 147.0
[M+NH4]+ 214.14376 149.7
[M+K]+ 235.07310 142.3
[M-H]- 195.10266 144.5
[M+Na-2H]- 217.08461 145.6
[M]+ 196.10939 142.3
[M]- 196.11049 142.3
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.