CID 15491146

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

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

53
Patents

242.16304 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 164.7
[M+Na]+ 265.15226 171.3
[M-H]- 241.15576 169.2
[M+NH4]+ 260.19686 173.6
[M+K]+ 281.12620 170.4
[M+H-H2O]+ 225.16030 156.4
[M+HCOO]- 287.16124 179.1
[M+CH3COO]- 301.17689 193.9
[M+Na-2H]- 263.13771 167.9
[M]+ 242.16249 166.8
[M]- 242.16359 166.8
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