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]+ 231.13796 153.0
[M+Na]+ 253.11990 157.2
[M-H]- 229.12340 158.5
[M+NH4]+ 248.16450 170.3
[M+K]+ 269.09384 154.1
[M+H-H2O]+ 213.12794 145.6
[M+HCOO]- 275.12888 172.5
[M+CH3COO]- 289.14453 190.4
[M+Na-2H]- 251.10535 155.6
[M]+ 230.13013 149.3
[M]- 230.13123 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.