CID 53255915

1286207-78-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

279.1583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.165576 166.3
[M+Na]+ 302.147518 172.0
[M-H]- 278.151024 169.8
[M+NH4]+ 297.192123 180.9
[M+K]+ 318.121458 170.2
[M+H-H2O]+ 262.155560 158.1
[M+HCOO]- 324.156501 184.6
[M+CH3COO]- 338.172151 199.2
[M+Na-2H]- 300.132966 167.8
[M]+ 279.15775142 165.6
[M]- 279.15884858 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