CID 65249933

Ethyl 6-(3-aminoazetidin-1-yl)pyridine-3-carboxylate

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CCOC(=O)C1=CN=C(C=C1)N2CC(C2)N
InChI
InChI=1S/C11H15N3O2/c1-2-16-11(15)8-3-4-10(13-5-8)14-6-9(12)7-14/h3-5,9H,2,6-7,12H2,1H3
InChIKey
SAHCTRDCINMBBZ-UHFFFAOYSA-N
Compound name
ethyl 6-(3-aminoazetidin-1-yl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.123696 150.7
[M+Na]+ 244.105638 156.2
[M-H]- 220.109144 153.9
[M+NH4]+ 239.150243 159.3
[M+K]+ 260.079578 157.3
[M+H-H2O]+ 204.113680 136.5
[M+HCOO]- 266.114621 170.0
[M+CH3COO]- 280.130271 193.9
[M+Na-2H]- 242.091086 153.8
[M]+ 221.11587142 158.3
[M]- 221.11696858 158.3
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.