CID 86252818

4-methoxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1(C2CCC1(C(=CC2=O)OC)C)C
InChI
InChI=1S/C12H18O2/c1-11(2)8-5-6-12(11,3)10(14-4)7-9(8)13/h7-8H,5-6H2,1-4H3
InChIKey
RXDCVGRTTTUHPX-UHFFFAOYSA-N
Compound name
4-methoxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 141.0
[M+Na]+ 217.119898 150.9
[M-H]- 193.123404 144.7
[M+NH4]+ 212.164503 168.7
[M+K]+ 233.093838 148.5
[M+H-H2O]+ 177.127940 137.9
[M+HCOO]- 239.128881 161.2
[M+CH3COO]- 253.144531 186.0
[M+Na-2H]- 215.105346 147.0
[M]+ 194.13013142 143.2
[M]- 194.13122858 143.2
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.