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]+ 222.12370 150.7
[M+Na]+ 244.10564 156.2
[M-H]- 220.10914 153.9
[M+NH4]+ 239.15024 159.3
[M+K]+ 260.07958 157.3
[M+H-H2O]+ 204.11368 136.5
[M+HCOO]- 266.11462 170.0
[M+CH3COO]- 280.13027 193.9
[M+Na-2H]- 242.09109 153.8
[M]+ 221.11587 158.3
[M]- 221.11697 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.