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 135.3
[M+Na]+ 201.12499 140.8
[M-H]- 177.12849 136.2
[M+NH4]+ 196.16959 166.3
[M+K]+ 217.09893 137.6
[M+H-H2O]+ 161.13303 130.0
[M+HCOO]- 223.13397 145.9
[M+CH3COO]- 237.14962 147.2
[M+Na-2H]- 199.11044 143.5
[M]+ 178.13522 135.4
[M]- 178.13632 135.4
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.