CID 3016011

Ethanone, 1-(4-(4-methyl-3-pentenyl)-3-cyclohexen-1-yl)-

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 150.7
[M+Na]+ 229.15629 155.0
[M-H]- 205.15979 153.3
[M+NH4]+ 224.20089 169.7
[M+K]+ 245.13023 152.7
[M+H-H2O]+ 189.16433 144.9
[M+HCOO]- 251.16527 169.4
[M+CH3COO]- 265.18092 189.6
[M+Na-2H]- 227.14174 151.2
[M]+ 206.16652 148.6
[M]- 206.16762 148.6
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