CID 6441798

Ethanone, 1-(trimethylcyclododecatrienyl)-

Structural Information

Molecular Formula
C17H26O
SMILES
C/C/1=C(/C(=C(\CCCCCC/C=C1)/C(=O)C)/C)\C
InChI
InChI=1S/C17H26O/c1-13-11-9-7-5-6-8-10-12-17(16(4)18)15(3)14(13)2/h9,11H,5-8,10,12H2,1-4H3/b11-9-,14-13-,17-15+
InChIKey
NUEJKVHPFVKGKP-HZLMAEHRSA-N
Compound name
1-[(1E,3Z,5Z)-2,3,4-trimethylcyclododeca-1,3,5-trien-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 156.6
[M+Na]+ 269.187578 162.5
[M-H]- 245.191084 158.2
[M+NH4]+ 264.232183 172.0
[M+K]+ 285.161518 160.5
[M+H-H2O]+ 229.195620 154.0
[M+HCOO]- 291.196561 175.4
[M+CH3COO]- 305.212211 192.9
[M+Na-2H]- 267.173026 156.2
[M]+ 246.19781142 152.5
[M]- 246.19890858 152.5
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.