CID 124706431

Methyl 5-(pyrrolidin-1-yl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C11H14N2O2
SMILES
COC(=O)C1=CC(=CN=C1)N2CCCC2
InChI
InChI=1S/C11H14N2O2/c1-15-11(14)9-6-10(8-12-7-9)13-4-2-3-5-13/h6-8H,2-5H2,1H3
InChIKey
TXUILKSNLPEUAG-UHFFFAOYSA-N
Compound name
methyl 5-pyrrolidin-1-ylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 145.4
[M+Na]+ 229.094748 152.0
[M-H]- 205.098254 149.1
[M+NH4]+ 224.139353 163.0
[M+K]+ 245.068688 150.2
[M+H-H2O]+ 189.102790 137.1
[M+HCOO]- 251.103731 165.7
[M+CH3COO]- 265.119381 183.5
[M+Na-2H]- 227.080196 148.5
[M]+ 206.10498142 144.1
[M]- 206.10607858 144.1
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.