CID 82123975

Tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCCCO
InChI
InChI=1S/C14H28N2O3/c1-14(2,3)19-13(18)16-10-8-15(9-11-16)7-5-4-6-12-17/h17H,4-12H2,1-3H3
InChIKey
AAALZLRQQQGASP-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-hydroxypentyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.21 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.21728 170.1
[M+Na]+ 295.19922 173.4
[M-H]- 271.20272 168.1
[M+NH4]+ 290.24382 183.2
[M+K]+ 311.17316 171.7
[M+H-H2O]+ 255.20726 162.6
[M+HCOO]- 317.20820 182.8
[M+CH3COO]- 331.22385 195.8
[M+Na-2H]- 293.18467 171.2
[M]+ 272.20945 169.4
[M]- 272.21055 169.4
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