CID 75430623

5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1=CC2=C(C=C1C)OCC2C(=O)O
InChI
InChI=1S/C11H12O3/c1-6-3-8-9(11(12)13)5-14-10(8)4-7(6)2/h3-4,9H,5H2,1-2H3,(H,12,13)
InChIKey
XQOJZDSJJIMTQW-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 138.9
[M+Na]+ 215.067858 148.2
[M-H]- 191.071364 143.5
[M+NH4]+ 210.112463 160.0
[M+K]+ 231.041798 146.9
[M+H-H2O]+ 175.075900 134.6
[M+HCOO]- 237.076841 159.5
[M+CH3COO]- 251.092491 182.1
[M+Na-2H]- 213.053306 143.2
[M]+ 192.07809142 140.7
[M]- 192.07918858 140.7
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

No patent data available for this compound.