CID 124116488

Schembl18291224

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)OC2=CN=C(C=C2)N
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-7-6-11(9-17)19-10-4-5-12(15)16-8-10/h4-5,8,11H,6-7,9H2,1-3H3,(H2,15,16)/t11-/m1/s1
InChIKey
ZGDKLFJQPTZQIN-LLVKDONJSA-N
Compound name
tert-butyl (3R)-3-(6-aminopyridin-3-yl)oxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.1583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16558 166.3
[M+Na]+ 302.14752 172.0
[M-H]- 278.15102 169.8
[M+NH4]+ 297.19212 180.9
[M+K]+ 318.12146 170.2
[M+H-H2O]+ 262.15556 158.1
[M+HCOO]- 324.15650 184.6
[M+CH3COO]- 338.17215 199.2
[M+Na-2H]- 300.13297 167.8
[M]+ 279.15775 165.6
[M]- 279.15885 165.6
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

patents stripe