CID 6450390

Acetyldimethylcyclododeca-1,5,9-triene

Structural Information

Molecular Formula
C16H24O
SMILES
C[C@@H]/1C/C(=C/CC/C(=C/CC/C=C1)/C(=O)C)/C
InChI
InChI=1S/C16H24O/c1-13-8-5-4-6-10-16(15(3)17)11-7-9-14(2)12-13/h5,8-10,13H,4,6-7,11-12H2,1-3H3/b8-5-,14-9+,16-10-/t13-/m0/s1
InChIKey
SDHZNJNHVOMINO-JLXXAHACSA-N
Compound name
1-[(1Z,5Z,7R,9E)-7,9-dimethylcyclododeca-1,5,9-trien-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 153.0
[M+Na]+ 255.17193 158.4
[M-H]- 231.17543 154.3
[M+NH4]+ 250.21653 168.6
[M+K]+ 271.14587 156.6
[M+H-H2O]+ 215.17997 150.3
[M+HCOO]- 277.18091 172.1
[M+CH3COO]- 291.19656 188.8
[M+Na-2H]- 253.15738 153.7
[M]+ 232.18216 148.1
[M]- 232.18326 148.1
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.