CID 12433292

Methyl 2-(1,3-dihydro-2-benzofuran-1-yl)acetate

Structural Information

Molecular Formula
C11H12O3
SMILES
COC(=O)CC1C2=CC=CC=C2CO1
InChI
InChI=1S/C11H12O3/c1-13-11(12)6-10-9-5-3-2-4-8(9)7-14-10/h2-5,10H,6-7H2,1H3
InChIKey
QFFFOVARSPNZEB-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-dihydro-2-benzofuran-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

192.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 139.6
[M+Na]+ 215.067858 147.5
[M-H]- 191.071364 144.8
[M+NH4]+ 210.112463 160.8
[M+K]+ 231.041798 147.1
[M+H-H2O]+ 175.075900 134.4
[M+HCOO]- 237.076841 161.7
[M+CH3COO]- 251.092491 181.6
[M+Na-2H]- 213.053306 145.5
[M]+ 192.07809142 142.2
[M]- 192.07918858 142.2
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