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

3
Patents

246.19836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 159.6
[M+Na]+ 269.187578 166.1
[M-H]- 245.191084 164.5
[M+NH4]+ 264.232183 186.4
[M+K]+ 285.161518 162.3
[M+H-H2O]+ 229.195620 154.5
[M+HCOO]- 291.196561 174.6
[M+CH3COO]- 305.212211 196.6
[M+Na-2H]- 267.173026 162.3
[M]+ 246.19781142 156.3
[M]- 246.19890858 156.3
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