CID 90657647

Chebi:141851

Structural Information

Molecular Formula
C15H22O
SMILES
CC1(CCC=C(C1)C2CCC(=CC2)C=O)C
InChI
InChI=1S/C15H22O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,11,13H,3,6-10H2,1-2H3
InChIKey
FITVEUXUZLYLPG-UHFFFAOYSA-N
Compound name
4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 151.6
[M+Na]+ 241.15629 156.8
[M-H]- 217.15979 157.6
[M+NH4]+ 236.20089 172.0
[M+K]+ 257.13023 153.8
[M+H-H2O]+ 201.16433 145.2
[M+HCOO]- 263.16527 170.4
[M+CH3COO]- 277.18092 189.4
[M+Na-2H]- 239.14174 154.8
[M]+ 218.16652 147.1
[M]- 218.16762 147.1
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.