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

17
Patents

244.1787 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.185976 160.5
[M+Na]+ 267.167918 164.4
[M-H]- 243.171424 159.0
[M+NH4]+ 262.212523 174.7
[M+K]+ 283.141858 163.8
[M+H-H2O]+ 227.175960 153.6
[M+HCOO]- 289.176901 172.9
[M+CH3COO]- 303.192551 190.7
[M+Na-2H]- 265.153366 161.5
[M]+ 244.17815142 158.5
[M]- 244.17924858 158.5
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