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]+ 257.11723 156.7
[M+Na]+ 279.09917 165.4
[M-H]- 255.10267 163.9
[M+NH4]+ 274.14377 174.0
[M+K]+ 295.07311 162.3
[M+H-H2O]+ 239.10721 149.1
[M+HCOO]- 301.10815 181.3
[M+CH3COO]- 315.12380 196.7
[M+Na-2H]- 277.08462 161.6
[M]+ 256.10940 161.3
[M]- 256.11050 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