CID 75532035

2-(4-methoxyphenyl)-5-methylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C13H12O4
SMILES
CC1=CC(=C(O1)C2=CC=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C13H12O4/c1-8-7-11(13(14)15)12(17-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,14,15)
InChIKey
DIDUZIXEBMNUSD-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07356 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 148.2
[M+Na]+ 255.06278 157.4
[M-H]- 231.06628 155.4
[M+NH4]+ 250.10738 166.2
[M+K]+ 271.03672 156.2
[M+H-H2O]+ 215.07082 142.4
[M+HCOO]- 277.07176 171.4
[M+CH3COO]- 291.08741 188.1
[M+Na-2H]- 253.04823 151.7
[M]+ 232.07301 152.2
[M]- 232.07411 152.2
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.