CID 1479262

256439-83-5

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

COC(=O)/C=C/C1=CC2=CC=CC=C2O1

InChI

InChI=1S/C12H10O3/c1-14-12(13)7-6-10-8-9-4-2-3-5-11(9)15-10/h2-8H,1H3/b7-6+

InChIKey

AEIWLZWROAICTP-VOTSOKGWSA-N

Compound name

methyl (E)-3-(1-benzofuran-2-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.06299 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.07027	141.0
[M+Na]+	225.05221	154.5
[M+NH4]+	220.09681	149.4
[M+K]+	241.02615	149.9
[M-H]-	201.05571	144.0
[M+Na-2H]-	223.03766	146.9
[M]+	202.06244	143.7
[M]-	202.06354	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe