CID 57420350

Tert-butyl 4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC(C)(C)O
InChI
InChI=1S/C13H26N2O3/c1-12(2,3)18-11(16)15-8-6-14(7-9-15)10-13(4,5)17/h17H,6-10H2,1-5H3
InChIKey
KAYYHDGKDUBNON-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

258.19434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20162 164.7
[M+Na]+ 281.18356 168.9
[M-H]- 257.18706 163.4
[M+NH4]+ 276.22816 178.5
[M+K]+ 297.15750 168.1
[M+H-H2O]+ 241.19160 158.4
[M+HCOO]- 303.19254 176.3
[M+CH3COO]- 317.20819 193.4
[M+Na-2H]- 279.16901 167.5
[M]+ 258.19379 163.2
[M]- 258.19489 163.2
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