CID 5323596

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

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1(COC2=C(C=CC=C21)C(=O)O)C
InChI
InChI=1S/C11H12O3/c1-11(2)6-14-9-7(10(12)13)4-3-5-8(9)11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
ZLDFSCLOHGEFAD-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2H-1-benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.3
[M+Na]+ 215.06786 150.9
[M+NH4]+ 210.11246 149.1
[M+K]+ 231.04180 146.0
[M-H]- 191.07136 141.6
[M+Na-2H]- 213.05331 144.5
[M]+ 192.07809 141.7
[M]- 192.07919 141.7
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