CID 57457559

862314-10-1

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CCOC(=O)C1=CC(=NC=C1N)Cl
InChI
InChI=1S/C8H9ClN2O2/c1-2-13-8(12)5-3-7(9)11-4-6(5)10/h3-4H,2,10H2,1H3
InChIKey
ZYJCTOLZHAXVCQ-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-chloropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

200.03525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 139.1
[M+Na]+ 223.024468 148.7
[M-H]- 199.027974 141.4
[M+NH4]+ 218.069073 157.7
[M+K]+ 238.998408 145.5
[M+H-H2O]+ 183.032510 133.4
[M+HCOO]- 245.033451 158.2
[M+CH3COO]- 259.049101 184.6
[M+Na-2H]- 221.009916 144.0
[M]+ 200.03470142 141.6
[M]- 200.03579858 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe