CID 16038066

857288-55-2

Structural Information

Molecular Formula
C17H18O2
SMILES
CC1=CC(=C(C=C1)OC)C(CC=O)C2=CC=CC=C2
InChI
InChI=1S/C17H18O2/c1-13-8-9-17(19-2)16(12-13)15(10-11-18)14-6-4-3-5-7-14/h3-9,11-12,15H,10H2,1-2H3
InChIKey
PUCVWRXHWYQOFA-UHFFFAOYSA-N
Compound name
3-(2-methoxy-5-methylphenyl)-3-phenylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

254.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 159.4
[M+Na]+ 277.11990 174.4
[M+NH4]+ 272.16450 168.1
[M+K]+ 293.09384 166.0
[M-H]- 253.12340 164.2
[M+Na-2H]- 275.10535 168.7
[M]+ 254.13013 163.1
[M]- 254.13123 163.1
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

patents stripe