CID 3016413

43119-53-5

Structural Information

Molecular Formula
C11H12O3
SMILES
CCOC(=O)C1CC2=CC=CC=C2O1
InChI
InChI=1S/C11H12O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-6,10H,2,7H2,1H3
InChIKey
UXWAUYCFFCPXGC-UHFFFAOYSA-N
Compound name
ethyl 2,3-dihydro-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.6
[M+Na]+ 215.06786 147.5
[M-H]- 191.07136 144.8
[M+NH4]+ 210.11246 160.8
[M+K]+ 231.04180 147.1
[M+H-H2O]+ 175.07590 134.4
[M+HCOO]- 237.07684 161.7
[M+CH3COO]- 251.09249 181.6
[M+Na-2H]- 213.05331 145.5
[M]+ 192.07809 142.2
[M]- 192.07919 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

literature stripe

Patent stripe

patents stripe