CID 15491146

159873-06-0

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2CO2

InChI

InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-4-13(5-7-14)8-10-9-16-10/h10H,4-9H2,1-3H3

InChIKey

XDRGUPXMFDJOFK-UHFFFAOYSA-N

Compound name

tert-butyl 4-(oxiran-2-ylmethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 242.16304 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.17032	159.7
[M+Na]+	265.15226	170.5
[M+NH4]+	260.19686	166.4
[M+K]+	281.12620	168.1
[M-H]-	241.15576	167.9
[M+Na-2H]-	263.13771	165.2
[M]+	242.16249	164.5
[M]-	242.16359	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe