CID 13328987

3-cyclohexyl-3-methyloxolane-2,5-dione

Structural Information

Molecular Formula
C11H16O3
SMILES
CC1(CC(=O)OC1=O)C2CCCCC2
InChI
InChI=1S/C11H16O3/c1-11(7-9(12)14-10(11)13)8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKey
OVNZJADZDSZWRT-UHFFFAOYSA-N
Compound name
3-cyclohexyl-3-methyloxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 141.7
[M+Na]+ 219.099158 147.8
[M-H]- 195.102664 148.5
[M+NH4]+ 214.143763 163.3
[M+K]+ 235.073098 147.3
[M+H-H2O]+ 179.107200 136.9
[M+HCOO]- 241.108141 160.8
[M+CH3COO]- 255.123791 181.0
[M+Na-2H]- 217.084606 144.9
[M]+ 196.10939142 138.0
[M]- 196.11048858 138.0
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

No patent data available for this compound.