CID 55212079

886364-96-1

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC=C1Cl)C=O

InChI

InChI=1S/C7H6ClNO/c1-5-2-6(4-10)9-3-7(5)8/h2-4H,1H3

InChIKey

OVKXYOUVSBNUMC-UHFFFAOYSA-N

Compound name

5-chloro-4-methylpyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 155.0138 Da
Monoisotopic Mass: 1.6
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]+	156.02108	126.5
[M+Na]+	178.00302	141.9
[M+NH4]+	173.04762	135.7
[M+K]+	193.97696	134.5
[M-H]-	154.00652	128.6
[M+Na-2H]-	175.98847	134.6
[M]+	155.01325	129.6
[M]-	155.01435	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe