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]+	203.070266	140.9
[M+Na]+	225.052208	150.8
[M-H]-	201.055714	146.8
[M+NH4]+	220.096813	161.9
[M+K]+	241.026148	149.2
[M+H-H2O]+	185.060250	135.5
[M+HCOO]-	247.061191	165.8
[M+CH3COO]-	261.076841	182.5
[M+Na-2H]-	223.037656	148.2
[M]+	202.06244142	146.0
[M]-	202.06353858	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe