CID 9882310

150323-35-6

Structural Information

Molecular Formula
C14H27N3O3
SMILES
CC(C)(C)NC(=O)[C@@H]1CN(CCN1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H27N3O3/c1-13(2,3)16-11(18)10-9-17(8-7-15-10)12(19)20-14(4,5)6/h10,15H,7-9H2,1-6H3,(H,16,18)/t10-/m0/s1
InChIKey
NASIOHFAYPRIAC-JTQLQIEISA-N
Compound name
tert-butyl (3S)-3-(tert-butylcarbamoyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

285.20523 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21251 168.9
[M+Na]+ 308.19445 174.5
[M+NH4]+ 303.23905 172.6
[M+K]+ 324.16839 173.0
[M-H]- 284.19795 165.8
[M+Na-2H]- 306.17990 169.3
[M]+ 285.20468 168.3
[M]- 285.20578 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe