CID 121209096

5-(azetidin-1-yl)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CN(C1)C2=CN=CC(=C2)C(=O)O
InChI
InChI=1S/C9H10N2O2/c12-9(13)7-4-8(6-10-5-7)11-2-1-3-11/h4-6H,1-3H2,(H,12,13)
InChIKey
KDJMFEWZROQBSC-UHFFFAOYSA-N
Compound name
5-(azetidin-1-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 135.4
[M+Na]+ 201.06345 141.5
[M-H]- 177.06695 137.8
[M+NH4]+ 196.10805 145.4
[M+K]+ 217.03739 142.5
[M+H-H2O]+ 161.07149 122.5
[M+HCOO]- 223.07243 153.7
[M+CH3COO]- 237.08808 180.9
[M+Na-2H]- 199.04890 140.8
[M]+ 178.07368 142.0
[M]- 178.07478 142.0
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.