CID 6436694

57935-00-9

Structural Information

Molecular Formula
C14H22O
SMILES
C/C=C/C(=O)C1/C(=C\C)/CCCC1(C)C
InChI
InChI=1S/C14H22O/c1-5-8-12(15)13-11(6-2)9-7-10-14(13,3)4/h5-6,8,13H,7,9-10H2,1-4H3/b8-5+,11-6-
InChIKey
SGYVCFIGWBOWST-CZDIAPPSSA-N
Compound name
(E)-1-[(6Z)-6-ethylidene-2,2-dimethylcyclohexyl]but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 152.1
[M+Na]+ 229.15629 162.6
[M+NH4]+ 224.20089 161.3
[M+K]+ 245.13023 153.6
[M-H]- 205.15979 153.5
[M+Na-2H]- 227.14174 156.8
[M]+ 206.16652 153.9
[M]- 206.16762 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.