CID 13157010

Methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C12H12O4
SMILES
CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC
InChI
InChI=1S/C12H12O4/c1-7-9-6-8(14-2)4-5-10(9)16-11(7)12(13)15-3/h4-6H,1-3H3
InChIKey
PGZMJOOOCVNYTE-UHFFFAOYSA-N
Compound name
methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

220.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08084 144.0
[M+Na]+ 243.06278 157.6
[M+NH4]+ 238.10738 152.0
[M+K]+ 259.03672 154.1
[M-H]- 219.06628 146.8
[M+Na-2H]- 241.04823 149.1
[M]+ 220.07301 146.7
[M]- 220.07411 146.7
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

patents stripe