CID 3159652

10035-41-3

Structural Information

Molecular Formula

C₁₁H₁₀O₂

SMILES

CCC1=C(C2=CC=CC=C2O1)C=O

InChI

InChI=1S/C11H10O2/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10/h3-7H,2H2,1H3

InChIKey

LVRCCWCFOHNTLJ-UHFFFAOYSA-N

Compound name

2-ethyl-1-benzofuran-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 174.06808 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]+	175.07536	132.5
[M+Na]+	197.05730	143.8
[M-H]-	173.06080	138.8
[M+NH4]+	192.10190	155.1
[M+K]+	213.03124	142.0
[M+H-H2O]+	157.06534	127.7
[M+HCOO]-	219.06628	158.3
[M+CH3COO]-	233.08193	179.9
[M+Na-2H]-	195.04275	140.9
[M]+	174.06753	137.8
[M]-	174.06863	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe