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

12
Patents

258.19434 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.201616 165.7
[M+Na]+ 281.183558 169.3
[M-H]- 257.187064 163.8
[M+NH4]+ 276.228163 179.3
[M+K]+ 297.157498 168.0
[M+H-H2O]+ 241.191600 158.4
[M+HCOO]- 303.192541 178.7
[M+CH3COO]- 317.208191 192.8
[M+Na-2H]- 279.169006 167.2
[M]+ 258.19379142 164.6
[M]- 258.19488858 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