CID 3021378

2-aminobutyl 3-pyridinecarboxylate dihydrochloride

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CCC(COC(=O)C1=CN=CC=C1)N
InChI
InChI=1S/C10H14N2O2/c1-2-9(11)7-14-10(13)8-4-3-5-12-6-8/h3-6,9H,2,7,11H2,1H3
InChIKey
ANIBRDXVKJCNJX-UHFFFAOYSA-N
Compound name
2-aminobutyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.2
[M+Na]+ 217.09475 153.6
[M+NH4]+ 212.13935 150.1
[M+K]+ 233.06869 148.7
[M-H]- 193.09825 144.1
[M+Na-2H]- 215.08020 148.7
[M]+ 194.10498 144.6
[M]- 194.10608 144.6
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.