CID 9815390

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

Structural Information

Molecular Formula
C10H10O3
SMILES
CC1COC2=C1C=CC=C2C(=O)O
InChI
InChI=1S/C10H10O3/c1-6-5-13-9-7(6)3-2-4-8(9)10(11)12/h2-4,6H,5H2,1H3,(H,11,12)
InChIKey
DACOAIIJQVVQAQ-UHFFFAOYSA-N
Compound name
3-methyl-2,3-dihydro-1-benzofuran-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 134.7
[M+Na]+ 201.05221 143.4
[M-H]- 177.05571 139.0
[M+NH4]+ 196.09681 155.9
[M+K]+ 217.02615 142.3
[M+H-H2O]+ 161.06025 130.2
[M+HCOO]- 223.06119 155.6
[M+CH3COO]- 237.07684 177.8
[M+Na-2H]- 199.03766 140.1
[M]+ 178.06244 135.6
[M]- 178.06354 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

literature stripe

Patent stripe

patents stripe