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

13
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 165.7
[M+Na]+ 281.18356 169.3
[M-H]- 257.18706 163.8
[M+NH4]+ 276.22816 179.3
[M+K]+ 297.15750 168.0
[M+H-H2O]+ 241.19160 158.4
[M+HCOO]- 303.19254 178.7
[M+CH3COO]- 317.20819 192.8
[M+Na-2H]- 279.16901 167.2
[M]+ 258.19379 164.6
[M]- 258.19489 164.6
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