CID 960137

5-(4-methylphenyl)-2-furaldehyde

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

CC1=CC=C(C=C1)C2=CC=C(O2)C=O

InChI

InChI=1S/C12H10O2/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-12/h2-8H,1H3

InChIKey

RNXBPIBAPRFYIS-UHFFFAOYSA-N

Compound name

5-(4-methylphenyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 186.06808 Da
Monoisotopic Mass: 2.3
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]+	187.07536	138.0
[M+Na]+	209.05730	152.6
[M+NH4]+	204.10190	147.2
[M+K]+	225.03124	147.4
[M-H]-	185.06080	143.5
[M+Na-2H]-	207.04275	146.5
[M]+	186.06753	141.7
[M]-	186.06863	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe