CID 110981

7388-22-9

Structural Information

Molecular Formula
C14H22O
SMILES
CC(=CC1C(=C)CCCC1(C)C)C(=O)C
InChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,13H,1,6-8H2,2-5H3
InChIKey
YQUFLLFXOARBNW-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

206.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 151.8
[M+Na]+ 229.15629 162.0
[M+NH4]+ 224.20089 161.0
[M+K]+ 245.13023 153.9
[M-H]- 205.15979 153.0
[M+Na-2H]- 227.14174 156.3
[M]+ 206.16652 153.6
[M]- 206.16762 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