CID 61224663

2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC1CCN(C1)C2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H14N2O2/c1-8-3-5-13(7-8)10-6-9(11(14)15)2-4-12-10/h2,4,6,8H,3,5,7H2,1H3,(H,14,15)
InChIKey
RRORMRIOTRAKRM-UHFFFAOYSA-N
Compound name
2-(3-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.5
[M+Na]+ 229.09475 152.6
[M-H]- 205.09825 148.2
[M+NH4]+ 224.13935 162.7
[M+K]+ 245.06869 149.9
[M+H-H2O]+ 189.10279 137.8
[M+HCOO]- 251.10373 164.3
[M+CH3COO]- 265.11938 182.7
[M+Na-2H]- 227.08020 147.5
[M]+ 206.10498 142.9
[M]- 206.10608 142.9
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.