CID 2758406

640769-65-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3826
Patents

242.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 152.0
[M+Na]+ 265.08352 161.2
[M-H]- 241.08702 159.4
[M+NH4]+ 260.12812 169.8
[M+K]+ 281.05746 158.3
[M+H-H2O]+ 225.09156 144.6
[M+HCOO]- 287.09250 177.0
[M+CH3COO]- 301.10815 193.8
[M+Na-2H]- 263.06897 157.5
[M]+ 242.09375 156.2
[M]- 242.09485 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

literature stripe

Patent stripe

patents stripe