CID 18412438

211915-96-7

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

COC(=O)C1=CC(=C(N=C1)Cl)N

InChI

InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-5(9)6(8)10-3-4/h2-3H,9H2,1H3

InChIKey

BENHZYFIGMDHEB-UHFFFAOYSA-N

Compound name

methyl 5-amino-6-chloropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 186.0196 Da
Monoisotopic Mass: 1.0
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]+	187.02688	134.3
[M+Na]+	209.00882	147.2
[M+NH4]+	204.05342	142.1
[M+K]+	224.98276	141.8
[M-H]-	185.01232	135.6
[M+Na-2H]-	206.99427	140.7
[M]+	186.01905	136.6
[M]-	186.02015	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe