CID 45084743

3-ethylpyridine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H9NO2
SMILES
CCC1=C(C=CN=C1)C(=O)O
InChI
InChI=1S/C8H9NO2/c1-2-6-5-9-4-3-7(6)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChIKey
AIELWRZUDWJQFM-UHFFFAOYSA-N
Compound name
3-ethylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

132
Patents

151.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.1
[M+Na]+ 174.05254 142.7
[M+NH4]+ 169.09714 137.8
[M+K]+ 190.02648 137.3
[M-H]- 150.05604 130.8
[M+Na-2H]- 172.03799 136.5
[M]+ 151.06277 131.9
[M]- 151.06387 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe