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]+ 247.20564 156.6
[M+Na]+ 269.18758 162.5
[M-H]- 245.19108 158.2
[M+NH4]+ 264.23218 172.0
[M+K]+ 285.16152 160.5
[M+H-H2O]+ 229.19562 154.0
[M+HCOO]- 291.19656 175.4
[M+CH3COO]- 305.21221 192.9
[M+Na-2H]- 267.17303 156.2
[M]+ 246.19781 152.5
[M]- 246.19891 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.