CID 16227066

7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

Structural Information

Molecular Formula
C11H12O4
SMILES
CC1CC2=C(O1)C(=CC(=C2)C(=O)O)OC
InChI
InChI=1S/C11H12O4/c1-6-3-7-4-8(11(12)13)5-9(14-2)10(7)15-6/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey
FNGZHLBOFSICNM-UHFFFAOYSA-N
Compound name
7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

208.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 141.8
[M+Na]+ 231.06278 150.9
[M-H]- 207.06628 146.3
[M+NH4]+ 226.10738 162.1
[M+K]+ 247.03672 150.1
[M+H-H2O]+ 191.07082 137.2
[M+HCOO]- 253.07176 162.5
[M+CH3COO]- 267.08741 184.3
[M+Na-2H]- 229.04823 146.1
[M]+ 208.07301 145.0
[M]- 208.07411 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe