CID 46911837

5-hydroxynicotinaldehyde

Structural Information

Molecular Formula

SMILES

C1=C(C=NC=C1O)C=O

InChI

InChI=1S/C6H5NO2/c8-4-5-1-6(9)3-7-2-5/h1-4,9H

InChIKey

LMCXPBAARDWGRD-UHFFFAOYSA-N

Compound name

5-hydroxypyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 123.03203 Da
Monoisotopic Mass: 0.0
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]+	124.039306	119.7
[M+Na]+	146.021248	129.2
[M-H]-	122.024754	121.3
[M+NH4]+	141.065853	140.2
[M+K]+	161.995188	127.5
[M+H-H2O]+	106.029290	114.1
[M+HCOO]-	168.030231	143.2
[M+CH3COO]-	182.045881	166.4
[M+Na-2H]-	144.006696	128.5
[M]+	123.03148142	119.7
[M]-	123.03257858	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe