CID 70873525

Tert-butyl 4-(5-hydroxypyridin-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H21N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)O
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)17-8-6-16(7-9-17)12-5-4-11(18)10-15-12/h4-5,10,18H,6-9H2,1-3H3
InChIKey
PSCCGROQUOHWRG-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-hydroxy-2-pyridinyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
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 168.1
[M+Na]+ 302.147518 173.5
[M-H]- 278.151024 168.8
[M+NH4]+ 297.192123 179.2
[M+K]+ 318.121458 170.9
[M+H-H2O]+ 262.155560 159.1
[M+HCOO]- 324.156501 180.8
[M+CH3COO]- 338.172151 195.7
[M+Na-2H]- 300.132966 171.0
[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