CID 20096

4138-58-3

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]+ 235.09648 146.8
[M+Na]+ 257.07842 159.6
[M-H]- 233.08192 153.9
[M+NH4]+ 252.12302 167.6
[M+K]+ 273.05236 158.6
[M+H-H2O]+ 217.08646 141.9
[M+HCOO]- 279.08740 172.2
[M+CH3COO]- 293.10305 193.8
[M+Na-2H]- 255.06387 152.3
[M]+ 234.08865 156.9
[M]- 234.08975 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.