CID 2762510

Methyl 3-amino-2-chloroisonicotinate

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
COC(=O)C1=C(C(=NC=C1)Cl)N
InChI
InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-3-10-6(8)5(4)9/h2-3H,9H2,1H3
InChIKey
KSZMBXHYSQDICN-UHFFFAOYSA-N
Compound name
methyl 3-amino-2-chloropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

186.0196 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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