CID 570617

3-methoxy-4-[(4-methylbenzyl)oxy]benzaldehyde

Structural Information

Molecular Formula
C16H16O3
SMILES
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OC
InChI
InChI=1S/C16H16O3/c1-12-3-5-13(6-4-12)11-19-15-8-7-14(10-17)9-16(15)18-2/h3-10H,11H2,1-2H3
InChIKey
YXMSGTVWNGZDMN-UHFFFAOYSA-N
Compound name
3-methoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

256.10995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.117226 156.7
[M+Na]+ 279.099168 165.4
[M-H]- 255.102674 163.9
[M+NH4]+ 274.143773 174.0
[M+K]+ 295.073108 162.3
[M+H-H2O]+ 239.107210 149.1
[M+HCOO]- 301.108151 181.3
[M+CH3COO]- 315.123801 196.7
[M+Na-2H]- 277.084616 161.6
[M]+ 256.10940142 161.3
[M]- 256.11049858 161.3
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

patents stripe