CID 2758405

676348-36-0

Structural Information

Molecular Formula
C15H14O3
SMILES
COC1=C(C=C(C=C1)C2=CC=CC(=C2)C=O)OC
InChI
InChI=1S/C15H14O3/c1-17-14-7-6-13(9-15(14)18-2)12-5-3-4-11(8-12)10-16/h3-10H,1-2H3
InChIKey
PEIHWSWXATULIX-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

242.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.101576 152.0
[M+Na]+ 265.083518 161.2
[M-H]- 241.087024 159.4
[M+NH4]+ 260.128123 169.8
[M+K]+ 281.057458 158.3
[M+H-H2O]+ 225.091560 144.6
[M+HCOO]- 287.092501 177.0
[M+CH3COO]- 301.108151 193.8
[M+Na-2H]- 263.068966 157.5
[M]+ 242.09375142 156.2
[M]- 242.09484858 156.2
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