CID 15444366

1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-one

Structural Information

Molecular Formula
C12H18O
SMILES
CC12CC(=C)CC(C1)(CC(=O)C2)C
InChI
InChI=1S/C12H18O/c1-9-4-11(2)6-10(13)7-12(3,5-9)8-11/h1,4-8H2,2-3H3
InChIKey
LLJFLDMVLHDLKH-UHFFFAOYSA-N
Compound name
1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 139.0
[M+Na]+ 201.12499 146.2
[M-H]- 177.12849 141.7
[M+NH4]+ 196.16959 164.9
[M+K]+ 217.09893 143.4
[M+H-H2O]+ 161.13303 134.8
[M+HCOO]- 223.13397 155.5
[M+CH3COO]- 237.14962 182.7
[M+Na-2H]- 199.11044 145.6
[M]+ 178.13522 134.9
[M]- 178.13632 134.9
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