CID 10846978

Tert-butyl 2,5,5-trimethylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC1CNC(CN1C(=O)OC(C)(C)C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-9-7-13-12(5,6)8-14(9)10(15)16-11(2,3)4/h9,13H,7-8H2,1-6H3
InChIKey
RFKDQNITCIOVID-UHFFFAOYSA-N
Compound name
tert-butyl 2,5,5-trimethylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 155.9
[M+Na]+ 251.17300 162.1
[M-H]- 227.17650 155.2
[M+NH4]+ 246.21760 173.3
[M+K]+ 267.14694 160.9
[M+H-H2O]+ 211.18104 150.6
[M+HCOO]- 273.18198 169.2
[M+CH3COO]- 287.19763 188.5
[M+Na-2H]- 249.15845 158.8
[M]+ 228.18323 153.9
[M]- 228.18433 153.9
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