CID 20096

Brn 1251587

Structural Information

Molecular Formula
C13H14O4
SMILES
CC1=C(OC2=C(C(=CC(=C12)OC)C=O)OC)C
InChI
InChI=1S/C13H14O4/c1-7-8(2)17-13-11(7)10(15-3)5-9(6-14)12(13)16-4/h5-6H,1-4H3
InChIKey
UHYPAAQZBUETNK-UHFFFAOYSA-N
Compound name
4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.096476 146.8
[M+Na]+ 257.078418 159.6
[M-H]- 233.081924 153.9
[M+NH4]+ 252.123023 167.6
[M+K]+ 273.052358 158.6
[M+H-H2O]+ 217.086460 141.9
[M+HCOO]- 279.087401 172.2
[M+CH3COO]- 293.103051 193.8
[M+Na-2H]- 255.063866 152.3
[M]+ 234.08865142 156.9
[M]- 234.08974858 156.9
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.