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]+ 197.11722 141.7
[M+Na]+ 219.09916 147.8
[M-H]- 195.10266 148.5
[M+NH4]+ 214.14376 163.3
[M+K]+ 235.07310 147.3
[M+H-H2O]+ 179.10720 136.9
[M+HCOO]- 241.10814 160.8
[M+CH3COO]- 255.12379 181.0
[M+Na-2H]- 217.08461 144.9
[M]+ 196.10939 138.0
[M]- 196.11049 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.