CID 17750888

1015939-90-8

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=C(OC(=C1)C2=CC=NN2)C=O

InChI

InChI=1S/C8H6N2O2/c11-5-6-1-2-8(12-6)7-3-4-9-10-7/h1-5H,(H,9,10)

InChIKey

VPLDPCCHOYJXRT-UHFFFAOYSA-N

Compound name

5-(1H-pyrazol-5-yl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 162.04292 Da
Monoisotopic Mass: 0.8
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]+	163.05020	128.1
[M+Na]+	185.03214	138.9
[M-H]-	161.03564	132.6
[M+NH4]+	180.07674	147.7
[M+K]+	201.00608	137.3
[M+H-H2O]+	145.04018	121.4
[M+HCOO]-	207.04112	153.1
[M+CH3COO]-	221.05677	143.1
[M+Na-2H]-	183.01759	134.7
[M]+	162.04237	130.4
[M]-	162.04347	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe