CID 43271548

6-[methyl(propyl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCCN(C)C1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C10H14N2O2/c1-3-6-12(2)9-5-4-8(7-11-9)10(13)14/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKey
AJWIZXYVDOQHND-UHFFFAOYSA-N
Compound name
6-[methyl(propyl)amino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 142.4
[M+Na]+ 217.094748 149.2
[M-H]- 193.098254 144.8
[M+NH4]+ 212.139353 160.2
[M+K]+ 233.068688 148.2
[M+H-H2O]+ 177.102790 135.4
[M+HCOO]- 239.103731 165.1
[M+CH3COO]- 253.119381 187.8
[M+Na-2H]- 215.080196 147.3
[M]+ 194.10498142 143.7
[M]- 194.10607858 143.7
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

No patent data available for this compound.