CID 45791809

Tert-butyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H23N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC
InChI
InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)15-7-5-14(6-8-15)10(16)9-13-4/h13H,5-9H2,1-4H3
InChIKey
GZWYGKAXHXAQJU-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17395 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18123 162.7
[M+Na]+ 280.16317 166.5
[M-H]- 256.16667 162.6
[M+NH4]+ 275.20777 176.6
[M+K]+ 296.13711 166.1
[M+H-H2O]+ 240.17121 155.2
[M+HCOO]- 302.17215 177.9
[M+CH3COO]- 316.18780 196.8
[M+Na-2H]- 278.14862 164.7
[M]+ 257.17340 161.0
[M]- 257.17450 161.0
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

No patent data available for this compound.