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-hydroxypyridin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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 168.1
[M+Na]+ 302.14752 173.5
[M-H]- 278.15102 168.8
[M+NH4]+ 297.19212 179.2
[M+K]+ 318.12146 170.9
[M+H-H2O]+ 262.15556 159.1
[M+HCOO]- 324.15650 180.8
[M+CH3COO]- 338.17215 195.7
[M+Na-2H]- 300.13297 171.0
[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