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 132.0
[M+Na]+ 219.09916 136.6
[M-H]- 195.10266 140.4
[M+NH4]+ 214.14376 148.2
[M+K]+ 235.07310 140.2
[M+H-H2O]+ 179.10720 123.8
[M+HCOO]- 241.10814 148.4
[M+CH3COO]- 255.12379 182.0
[M+Na-2H]- 217.08461 139.5
[M]+ 196.10939 136.7
[M]- 196.11049 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.