CID 17867241

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

Structural Information

Molecular Formula
C10H10O3
SMILES
CC1COC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H10O3/c1-6-5-13-9-3-2-7(10(11)12)4-8(6)9/h2-4,6H,5H2,1H3,(H,11,12)
InChIKey
QMXMIBODMIVZLU-UHFFFAOYSA-N
Compound name
3-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

178.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.070266 134.7
[M+Na]+ 201.052208 143.4
[M-H]- 177.055714 139.0
[M+NH4]+ 196.096813 155.9
[M+K]+ 217.026148 142.3
[M+H-H2O]+ 161.060250 130.2
[M+HCOO]- 223.061191 155.6
[M+CH3COO]- 237.076841 177.8
[M+Na-2H]- 199.037656 140.1
[M]+ 178.06244142 135.6
[M]- 178.06353858 135.6
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