CID 131751656

11-methyl-7-oxatetracyclo[6.3.1.01,6.04,11]dodecane

Structural Information

Molecular Formula
C12H18O
SMILES
CC12CC3CCC14CCC2CC4O3
InChI
InChI=1S/C12H18O/c1-11-7-9-3-5-12(11)4-2-8(11)6-10(12)13-9/h8-10H,2-7H2,1H3
InChIKey
VGGSAEFRUODTIJ-UHFFFAOYSA-N
Compound name
11-methyl-8-oxatetracyclo[5.3.2.04,9.04,11]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 138.6
[M+Na]+ 201.12499 147.5
[M+NH4]+ 196.16959 154.0
[M+K]+ 217.09893 140.4
[M-H]- 177.12849 139.7
[M+Na-2H]- 199.11044 137.8
[M]+ 178.13522 140.5
[M]- 178.13632 140.5
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

No patent data available for this compound.