CID 165364785

Dtxsid801035959

Structural Information

Molecular Formula
C17H26O
SMILES
C/C(=C\C(=O)C)/[C@@]12CCC[C@]3([C@@H]1CC[C@]3(C2)C)C
InChI
InChI=1S/C17H26O/c1-12(10-13(2)18)17-8-5-7-16(4)14(17)6-9-15(16,3)11-17/h10,14H,5-9,11H2,1-4H3/b12-10+/t14-,15-,16-,17-/m0/s1
InChIKey
ADSLOTSUFNDWQA-WDQFETOXSA-N
Compound name
(E)-4-[(1S,2S,6R,8S)-2,8-dimethyl-6-tricyclo[4.4.0.02,8]decanyl]pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 164.2
[M+Na]+ 269.18758 170.1
[M-H]- 245.19108 167.4
[M+NH4]+ 264.23218 192.9
[M+K]+ 285.16152 165.7
[M+H-H2O]+ 229.19562 160.4
[M+HCOO]- 291.19656 178.8
[M+CH3COO]- 305.21221 196.3
[M+Na-2H]- 267.17303 164.7
[M]+ 246.19781 161.7
[M]- 246.19891 161.7
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.