CID 2750836

4-methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1(C2CCC1(C(=O)C=C2OC)C)C
InChI
InChI=1S/C12H18O2/c1-11(2)8-5-6-12(11,3)10(13)7-9(8)14-4/h7-8H,5-6H2,1-4H3
InChIKey
LCWZVIODSIIJGJ-UHFFFAOYSA-N
Compound name
4-methoxy-1,8,8-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 141.0
[M+Na]+ 217.11990 150.9
[M-H]- 193.12340 144.7
[M+NH4]+ 212.16450 168.7
[M+K]+ 233.09384 148.5
[M+H-H2O]+ 177.12794 137.9
[M+HCOO]- 239.12888 161.2
[M+CH3COO]- 253.14453 186.0
[M+Na-2H]- 215.10535 147.0
[M]+ 194.13013 143.2
[M]- 194.13123 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.