CID 5365976

Allyl alpha-ionone

Structural Information

Molecular Formula
C16H24O
SMILES
CC1=CCCC(C1/C=C/C(=O)CCC=C)(C)C
InChI
InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+
InChIKey
FXCYGAGBPZQRJE-ZHACJKMWSA-N
Compound name
(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

2955
Patents

232.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 158.9
[M+Na]+ 255.17193 169.9
[M+NH4]+ 250.21653 167.9
[M+K]+ 271.14587 160.4
[M-H]- 231.17543 160.4
[M+Na-2H]- 253.15738 164.1
[M]+ 232.18216 160.9
[M]- 232.18326 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe