CID 3016011

38758-04-2

Structural Information

Molecular Formula
C14H22O
SMILES
CC(=CCCC1=CCC(CC1)C(=O)C)C
InChI
InChI=1S/C14H22O/c1-11(2)5-4-6-13-7-9-14(10-8-13)12(3)15/h5,7,14H,4,6,8-10H2,1-3H3
InChIKey
OPMMVURHZYBANA-UHFFFAOYSA-N
Compound name
1-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

206.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 151.6
[M+Na]+ 229.15629 162.1
[M+NH4]+ 224.20089 159.6
[M+K]+ 245.13023 155.3
[M-H]- 205.15979 153.1
[M+Na-2H]- 227.14174 155.6
[M]+ 206.16652 153.3
[M]- 206.16762 153.3
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