CID 2737255

6-(2-(pyrrolidin-1-yl)ethyl)nicotinic acid

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CCN(C1)CCC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H16N2O2/c15-12(16)10-3-4-11(13-9-10)5-8-14-6-1-2-7-14/h3-4,9H,1-2,5-8H2,(H,15,16)
InChIKey
JNYWIOXOYFVKQG-UHFFFAOYSA-N
Compound name
6-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

220.12119 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 150.2
[M+Na]+ 243.11041 155.9
[M-H]- 219.11391 152.3
[M+NH4]+ 238.15501 166.5
[M+K]+ 259.08435 152.9
[M+H-H2O]+ 203.11845 142.0
[M+HCOO]- 265.11939 168.6
[M+CH3COO]- 279.13504 184.6
[M+Na-2H]- 241.09586 152.3
[M]+ 220.12064 147.5
[M]- 220.12174 147.5
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

patents stripe