CID 215103

34935-16-5

Structural Information

Molecular Formula
C16H20O2
SMILES
CC(C=O)C(=O)C1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C16H20O2/c1-12(11-17)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3
InChIKey
AHKVYNGYMYYIPI-UHFFFAOYSA-N
Compound name
3-(4-cyclohexylphenyl)-2-methyl-3-oxopropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.14633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.15361 157.5
[M+Na]+ 267.13555 161.0
[M-H]- 243.13905 162.9
[M+NH4]+ 262.18015 174.1
[M+K]+ 283.10949 158.1
[M+H-H2O]+ 227.14359 150.1
[M+HCOO]- 289.14453 175.6
[M+CH3COO]- 303.16018 194.3
[M+Na-2H]- 265.12100 158.3
[M]+ 244.14578 153.5
[M]- 244.14688 153.5
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.