CID 2414251

4-[(4-tert-butylphenyl)methoxy]-3-ethoxybenzaldehyde

Structural Information

Molecular Formula
C20H24O3
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H24O3/c1-5-22-19-12-16(13-21)8-11-18(19)23-14-15-6-9-17(10-7-15)20(2,3)4/h6-13H,5,14H2,1-4H3
InChIKey
MFSGFBSZRKKSEV-UHFFFAOYSA-N
Compound name
4-[(4-tert-butylphenyl)methoxy]-3-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.17255 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.179826 175.6
[M+Na]+ 335.161768 183.0
[M-H]- 311.165274 182.4
[M+NH4]+ 330.206373 190.7
[M+K]+ 351.135708 179.5
[M+H-H2O]+ 295.169810 167.8
[M+HCOO]- 357.170751 197.2
[M+CH3COO]- 371.186401 208.5
[M+Na-2H]- 333.147216 179.1
[M]+ 312.17200142 181.0
[M]- 312.17309858 181.0
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.