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]+ 243.170316 164.7
[M+Na]+ 265.152258 171.3
[M-H]- 241.155764 169.2
[M+NH4]+ 260.196863 173.6
[M+K]+ 281.126198 170.4
[M+H-H2O]+ 225.160300 156.4
[M+HCOO]- 287.161241 179.1
[M+CH3COO]- 301.176891 193.9
[M+Na-2H]- 263.137706 167.9
[M]+ 242.16249142 166.8
[M]- 242.16358858 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