CID 101297706

Humuladienone

Structural Information

Molecular Formula
C15H24O
SMILES
CC1C/C=C\C(C/C=C(\CCC1=O)/C)(C)C
InChI
InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,13H,6-8,11H2,1-4H3/b10-5-,12-9-
InChIKey
XWFINABYEHNSEP-CGBKSYCJSA-N
Compound name
(4Z,8Z)-2,6,6,9-tetramethylcycloundeca-4,8-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.0
[M+Na]+ 243.17193 163.2
[M+NH4]+ 238.21653 160.3
[M+K]+ 259.14587 153.8
[M-H]- 219.17543 154.1
[M+Na-2H]- 241.15738 158.5
[M]+ 220.18216 153.6
[M]- 220.18326 153.6
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