CID 118798415

1282606-18-1

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

CN(C)C1=C(C(=NC=C1)Cl)C=O

InChI

InChI=1S/C8H9ClN2O/c1-11(2)7-3-4-10-8(9)6(7)5-12/h3-5H,1-2H3

InChIKey

ZMVRFWZHWPWOER-UHFFFAOYSA-N

Compound name

2-chloro-4-(dimethylamino)pyridine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.04034 Da
Monoisotopic Mass: 1.4
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]+	185.04762	135.2
[M+Na]+	207.02956	149.2
[M+NH4]+	202.07416	143.9
[M+K]+	223.00350	142.5
[M-H]-	183.03306	137.7
[M+Na-2H]-	205.01501	142.9
[M]+	184.03979	138.2
[M]-	184.04089	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.