CID 65237423

5-(2-methoxy-4-methylphenoxy)furan-2-carbaldehyde

Structural Information

Molecular Formula
C13H12O4
SMILES
CC1=CC(=C(C=C1)OC2=CC=C(O2)C=O)OC
InChI
InChI=1S/C13H12O4/c1-9-3-5-11(12(7-9)15-2)17-13-6-4-10(8-14)16-13/h3-8H,1-2H3
InChIKey
RJBGXVWKRNNLFG-UHFFFAOYSA-N
Compound name
5-(2-methoxy-4-methylphenoxy)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07356 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 147.2
[M+Na]+ 255.062778 157.2
[M-H]- 231.066284 155.7
[M+NH4]+ 250.107383 166.1
[M+K]+ 271.036718 156.4
[M+H-H2O]+ 215.070820 141.1
[M+HCOO]- 277.071761 173.0
[M+CH3COO]- 291.087411 189.7
[M+Na-2H]- 253.048226 152.4
[M]+ 232.07301142 153.7
[M]- 232.07410858 153.7
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.