CID 44146823

3,3-dimethyl-1,5-dioxacycloundecane-6,11-dione

Structural Information

Molecular Formula
C11H18O4
SMILES
CC1(COC(=O)CCCCC(=O)OC1)C
InChI
InChI=1S/C11H18O4/c1-11(2)7-14-9(12)5-3-4-6-10(13)15-8-11/h3-8H2,1-2H3
InChIKey
YXVYDRRQLYLXJF-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,5-dioxacycloundecane-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
Patents

214.12051 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 143.4
[M+Na]+ 237.109728 149.6
[M-H]- 213.113234 145.8
[M+NH4]+ 232.154333 158.9
[M+K]+ 253.083668 152.1
[M+H-H2O]+ 197.117770 142.1
[M+HCOO]- 259.118711 160.3
[M+CH3COO]- 273.134361 180.3
[M+Na-2H]- 235.095176 148.5
[M]+ 214.11996142 139.6
[M]- 214.12105858 139.6
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