CID 53789594

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

Structural Information

Molecular Formula
C10H16O4
SMILES
CC1COC(=O)CCCCC(=O)OC1
InChI
InChI=1S/C10H16O4/c1-8-6-13-9(11)4-2-3-5-10(12)14-7-8/h8H,2-7H2,1H3
InChIKey
FAXGGGOODQWKDU-UHFFFAOYSA-N
Compound name
3-methyl-1,5-dioxacycloundecane-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

200.10486 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 139.8
[M+Na]+ 223.094078 145.4
[M-H]- 199.097584 142.0
[M+NH4]+ 218.138683 153.7
[M+K]+ 239.068018 147.9
[M+H-H2O]+ 183.102120 137.8
[M+HCOO]- 245.103061 157.0
[M+CH3COO]- 259.118711 177.7
[M+Na-2H]- 221.079526 144.1
[M]+ 200.10431142 135.2
[M]- 200.10540858 135.2
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

patents stripe