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]+ 201.042526 138.8
[M+Na]+ 223.024468 147.9
[M-H]- 199.027974 140.2
[M+NH4]+ 218.069073 156.9
[M+K]+ 238.998408 144.2
[M+H-H2O]+ 183.032510 133.4
[M+HCOO]- 245.033451 157.1
[M+CH3COO]- 259.049101 183.4
[M+Na-2H]- 221.009916 144.4
[M]+ 200.03470142 140.5
[M]- 200.03579858 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.