CID 13064

1,6-dioxacyclododecane-7,12-dione

Structural Information

Molecular Formula
C10H16O4
SMILES
C1CCC(=O)OCCCCOC(=O)C1
InChI
InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2
InChIKey
AXKZIDYFAMKWSA-UHFFFAOYSA-N
Compound name
1,6-dioxacyclododecane-7,12-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

12417
Patents

200.10486 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 140.1
[M+Na]+ 223.094078 144.5
[M-H]- 199.097584 142.1
[M+NH4]+ 218.138683 153.5
[M+K]+ 239.068018 147.1
[M+H-H2O]+ 183.102120 137.9
[M+HCOO]- 245.103061 156.8
[M+CH3COO]- 259.118711 175.5
[M+Na-2H]- 221.079526 144.8
[M]+ 200.10431142 133.9
[M]- 200.10540858 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe