CID 28400076

5-chloro-6-(ethylamino)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CCNC1=C(C=C(C=N1)C(=O)O)Cl
InChI
InChI=1S/C8H9ClN2O2/c1-2-10-7-6(9)3-5(4-11-7)8(12)13/h3-4H,2H2,1H3,(H,10,11)(H,12,13)
InChIKey
AQUHMSXUKOCEPD-UHFFFAOYSA-N
Compound name
5-chloro-6-(ethylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03525 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 138.8
[M+Na]+ 223.02447 147.9
[M-H]- 199.02797 140.2
[M+NH4]+ 218.06907 156.9
[M+K]+ 238.99841 144.2
[M+H-H2O]+ 183.03251 133.4
[M+HCOO]- 245.03345 157.1
[M+CH3COO]- 259.04910 183.4
[M+Na-2H]- 221.00992 144.4
[M]+ 200.03470 140.5
[M]- 200.03580 140.5
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

No patent data available for this compound.