CID 155973381

Tert-butyl 3-{[5-(aminomethyl)pyridin-2-yl]oxy}pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)OC2=NC=C(C=C2)CN
InChI
InChI=1S/C15H23N3O3/c1-15(2,3)21-14(19)18-7-6-12(10-18)20-13-5-4-11(8-16)9-17-13/h4-5,9,12H,6-8,10,16H2,1-3H3
InChIKey
XSPJUEUUSFANNG-UHFFFAOYSA-N
Compound name
tert-butyl 3-[5-(aminomethyl)pyridin-2-yl]oxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.17395 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18123 169.5
[M+Na]+ 316.16317 178.0
[M+NH4]+ 311.20777 174.9
[M+K]+ 332.13711 176.1
[M-H]- 292.16667 170.1
[M+Na-2H]- 314.14862 173.4
[M]+ 293.17340 170.5
[M]- 293.17450 170.5
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.