CID 221368

6333-70-6

Structural Information

Molecular Formula

C₉H₁₀ClN₃O

SMILES

CC1=C(C(=C(C(=N1)Cl)C#N)COC)N

InChI

InChI=1S/C9H10ClN3O/c1-5-8(12)7(4-14-2)6(3-11)9(10)13-5/h4,12H2,1-2H3

InChIKey

LKJVOGPXZAZBHH-UHFFFAOYSA-N

Compound name

5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 211.05124 Da
Monoisotopic Mass: 0.9
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]+	212.05852	141.4
[M+Na]+	234.04046	154.3
[M+NH4]+	229.08506	145.9
[M+K]+	250.01440	145.1
[M-H]-	210.04396	136.2
[M+Na-2H]-	232.02591	145.0
[M]+	211.05069	141.1
[M]-	211.05179	141.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.