CID 2759655

5-(4-methoxyphenyl)-2-furaldehyde

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

COC1=CC=C(C=C1)C2=CC=C(O2)C=O

InChI

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

InChIKey

JPCUGGGXLKGQEP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 202.06299 Da
Monoisotopic Mass: 2.4
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	140.0
[M+Na]+	225.052208	149.6
[M-H]-	201.055714	148.2
[M+NH4]+	220.096813	159.8
[M+K]+	241.026148	148.4
[M+H-H2O]+	185.060250	134.0
[M+HCOO]-	247.061191	165.9
[M+CH3COO]-	261.076841	183.4
[M+Na-2H]-	223.037656	146.2
[M]+	202.06244142	144.2
[M]-	202.06353858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe