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]+ 219.174346 151.6
[M+Na]+ 241.156288 156.8
[M-H]- 217.159794 157.6
[M+NH4]+ 236.200893 172.0
[M+K]+ 257.130228 153.8
[M+H-H2O]+ 201.164330 145.2
[M+HCOO]- 263.165271 170.4
[M+CH3COO]- 277.180921 189.4
[M+Na-2H]- 239.141736 154.8
[M]+ 218.16652142 147.1
[M]- 218.16761858 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.