CID 21116984

58200-83-2

Structural Information

Molecular Formula
C17H26O
SMILES
CC1=C(CCC2(C13CCCC2(CC3)C)C)C(=O)C
InChI
InChI=1S/C17H26O/c1-12-14(13(2)18)6-9-16(4)15(3)7-5-8-17(12,16)11-10-15/h5-11H2,1-4H3
InChIKey
LAJZGVJYVRDOEY-UHFFFAOYSA-N
Compound name
1-(2,6,7-trimethyl-3-tricyclo[5.3.2.01,6]dodec-2-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 160.8
[M+Na]+ 269.18758 170.7
[M+NH4]+ 264.23218 174.9
[M+K]+ 285.16152 159.7
[M-H]- 245.19108 163.6
[M+Na-2H]- 267.17303 167.5
[M]+ 246.19781 163.5
[M]- 246.19891 163.5
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.