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]+ 313.17983 175.6
[M+Na]+ 335.16177 183.0
[M-H]- 311.16527 182.4
[M+NH4]+ 330.20637 190.7
[M+K]+ 351.13571 179.5
[M+H-H2O]+ 295.16981 167.8
[M+HCOO]- 357.17075 197.2
[M+CH3COO]- 371.18640 208.5
[M+Na-2H]- 333.14722 179.1
[M]+ 312.17200 181.0
[M]- 312.17310 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.