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]+ 195.11281 142.4
[M+Na]+ 217.09475 149.2
[M-H]- 193.09825 144.8
[M+NH4]+ 212.13935 160.2
[M+K]+ 233.06869 148.2
[M+H-H2O]+ 177.10279 135.4
[M+HCOO]- 239.10373 165.1
[M+CH3COO]- 253.11938 187.8
[M+Na-2H]- 215.08020 147.3
[M]+ 194.10498 143.7
[M]- 194.10608 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.