CID 69803864

Tert-butyl 4-(2-amino-2-methylpropyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC(C)(C)N
InChI
InChI=1S/C13H27N3O2/c1-12(2,3)18-11(17)16-8-6-15(7-9-16)10-13(4,5)14/h6-10,14H2,1-5H3
InChIKey
OTDFLWYHKKUNKB-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-amino-2-methylpropyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.21033 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.21761 165.8
[M+Na]+ 280.19955 169.6
[M-H]- 256.20305 165.2
[M+NH4]+ 275.24415 179.8
[M+K]+ 296.17349 168.7
[M+H-H2O]+ 240.20759 158.9
[M+HCOO]- 302.20853 179.0
[M+CH3COO]- 316.22418 198.2
[M+Na-2H]- 278.18500 168.2
[M]+ 257.20978 162.9
[M]- 257.21088 162.9
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