CID 4397197

2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1C(OC2=C1C=CC=C2C(=O)O)C
InChI
InChI=1S/C11H12O3/c1-6-7(2)14-10-8(6)4-3-5-9(10)11(12)13/h3-7H,1-2H3,(H,12,13)
InChIKey
NDHRSRDLHFRGSK-UHFFFAOYSA-N
Compound name
2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

192.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.2
[M+Na]+ 215.06786 151.0
[M+NH4]+ 210.11246 147.5
[M+K]+ 231.04180 148.0
[M-H]- 191.07136 141.6
[M+Na-2H]- 213.05331 142.6
[M]+ 192.07809 141.4
[M]- 192.07919 141.4
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