CID 84230

14160-93-1

Structural Information

Molecular Formula

C₅H₄ClN₃O

SMILES

C1=NC(=C(C(=N1)Cl)C=O)N

InChI

InChI=1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)

InChIKey

GOJNFUXEBVBARW-UHFFFAOYSA-N

Compound name

4-amino-6-chloropyrimidine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 345
Patents: 157.00429 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]+	158.01157	126.3
[M+Na]+	179.99351	140.2
[M+NH4]+	175.03811	134.2
[M+K]+	195.96745	134.2
[M-H]-	155.99701	127.5
[M+Na-2H]-	177.97896	133.5
[M]+	157.00374	128.7
[M]-	157.00484	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe