CID 215102

Benzenepropanal, 4-cyclohexyl-beta-oxo-

Structural Information

Molecular Formula
C15H18O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC=O
InChI
InChI=1S/C15H18O2/c16-11-10-15(17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2
InChIKey
VJMJKZGDSHJXCF-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylphenyl)-3-oxopropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.137956 153.0
[M+Na]+ 253.119898 157.2
[M-H]- 229.123404 158.5
[M+NH4]+ 248.164503 170.3
[M+K]+ 269.093838 154.1
[M+H-H2O]+ 213.127940 145.6
[M+HCOO]- 275.128881 172.5
[M+CH3COO]- 289.144531 190.4
[M+Na-2H]- 251.105346 155.6
[M]+ 230.13013142 149.3
[M]- 230.13122858 149.3
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.