CID 59718725

Tert-butyl 4-(4-hydroxybutyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCCO
InChI
InChI=1S/C13H26N2O3/c1-13(2,3)18-12(17)15-9-7-14(8-10-15)6-4-5-11-16/h16H,4-11H2,1-3H3
InChIKey
WXMAGSGGBIUCBY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-hydroxybutyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

258.19434 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20162 163.9
[M+Na]+ 281.18356 171.6
[M+NH4]+ 276.22816 168.9
[M+K]+ 297.15750 167.7
[M-H]- 257.18706 161.7
[M+Na-2H]- 279.16901 165.2
[M]+ 258.19379 163.9
[M]- 258.19489 163.9
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