CID 52984109

Tert-butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(CN1CCN(CC1)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C12H24N2O3/c1-10(15)9-13-5-7-14(8-6-13)11(16)17-12(2,3)4/h10,15H,5-9H2,1-4H3
InChIKey
IZECLTNHJKKPLG-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-hydroxypropyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

244.1787 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 159.0
[M+Na]+ 267.16792 166.6
[M+NH4]+ 262.21252 164.1
[M+K]+ 283.14186 163.8
[M-H]- 243.17142 156.7
[M+Na-2H]- 265.15337 160.3
[M]+ 244.17815 159.0
[M]- 244.17925 159.0
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