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 148.3
[M+Na]+ 229.15629 154.1
[M-H]- 205.15979 151.3
[M+NH4]+ 224.20089 169.7
[M+K]+ 245.13023 151.3
[M+H-H2O]+ 189.16433 143.8
[M+HCOO]- 251.16527 166.8
[M+CH3COO]- 265.18092 188.3
[M+Na-2H]- 227.14174 149.7
[M]+ 206.16652 145.4
[M]- 206.16762 145.4
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.