CID 23004866

342600-58-2

Structural Information

Molecular Formula

C₉H₆N₂O₂

SMILES

C1=C(OC(=C1)C2=CN=CN=C2)C=O

InChI

InChI=1S/C9H6N2O2/c12-5-8-1-2-9(13-8)7-3-10-6-11-4-7/h1-6H

InChIKey

TWJSPIIJOLBLDQ-UHFFFAOYSA-N

Compound name

5-pyrimidin-5-ylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 174.04292 Da
Monoisotopic Mass: 0.7
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]+	175.05020	132.0
[M+Na]+	197.03214	142.1
[M-H]-	173.03564	137.3
[M+NH4]+	192.07674	149.9
[M+K]+	213.00608	140.7
[M+H-H2O]+	157.04018	124.3
[M+HCOO]-	219.04112	156.0
[M+CH3COO]-	233.05677	146.5
[M+Na-2H]-	195.01759	140.2
[M]+	174.04237	134.3
[M]-	174.04347	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe