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]+ 207.11281 145.4
[M+Na]+ 229.09475 152.0
[M-H]- 205.09825 149.1
[M+NH4]+ 224.13935 163.0
[M+K]+ 245.06869 150.2
[M+H-H2O]+ 189.10279 137.1
[M+HCOO]- 251.10373 165.7
[M+CH3COO]- 265.11938 183.5
[M+Na-2H]- 227.08020 148.5
[M]+ 206.10498 144.1
[M]- 206.10608 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.