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

59
Patents

200.03525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 139.1
[M+Na]+ 223.02447 148.7
[M-H]- 199.02797 141.4
[M+NH4]+ 218.06907 157.7
[M+K]+ 238.99841 145.5
[M+H-H2O]+ 183.03251 133.4
[M+HCOO]- 245.03345 158.2
[M+CH3COO]- 259.04910 184.6
[M+Na-2H]- 221.00992 144.0
[M]+ 200.03470 141.6
[M]- 200.03580 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