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]+ 233.189986 153.0
[M+Na]+ 255.171928 158.4
[M-H]- 231.175434 154.3
[M+NH4]+ 250.216533 168.6
[M+K]+ 271.145868 156.6
[M+H-H2O]+ 215.179970 150.3
[M+HCOO]- 277.180911 172.1
[M+CH3COO]- 291.196561 188.8
[M+Na-2H]- 253.157376 153.7
[M]+ 232.18216142 148.1
[M]- 232.18325858 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.