CID 129907895

2-(3,4-dimethoxyphenyl)-3-methyl-2,3-dihydrobenzofuran-5-carbaldehyde

Structural Information

Molecular Formula
C18H18O4
SMILES
CC1[C@@H](OC2=C1C=C(C=C2)C=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C18H18O4/c1-11-14-8-12(10-19)4-6-15(14)22-18(11)13-5-7-16(20-2)17(9-13)21-3/h4-11,18H,1-3H3/t11?,18-/m1/s1
InChIKey
RORZIVRKMDSIAU-KKIBXBACSA-N
Compound name
(2R)-2-(3,4-dimethoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 167.4
[M+Na]+ 321.10972 177.2
[M-H]- 297.11322 176.6
[M+NH4]+ 316.15432 184.8
[M+K]+ 337.08366 174.9
[M+H-H2O]+ 281.11776 160.7
[M+HCOO]- 343.11870 189.6
[M+CH3COO]- 357.13435 205.2
[M+Na-2H]- 319.09517 170.2
[M]+ 298.11995 173.6
[M]- 298.12105 173.6
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.