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]+ 179.081506 135.4
[M+Na]+ 201.063448 141.5
[M-H]- 177.066954 137.8
[M+NH4]+ 196.108053 145.4
[M+K]+ 217.037388 142.5
[M+H-H2O]+ 161.071490 122.5
[M+HCOO]- 223.072431 153.7
[M+CH3COO]- 237.088081 180.9
[M+Na-2H]- 199.048896 140.8
[M]+ 178.07368142 142.0
[M]- 178.07477858 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.