CID 11789917

(3r)-3-(tert-butylcarbamoyl)piperazin-1-ium

Structural Information

Molecular Formula
C9H19N3O
SMILES
CC(C)(C)NC(=O)[C@H]1CNCCN1
InChI
InChI=1S/C9H19N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKey
OEZDMLLCIUSINT-SSDOTTSWSA-N
Compound name
(2R)-N-tert-butylpiperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

185.15282 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.16010 144.6
[M+Na]+ 208.14204 151.8
[M+NH4]+ 203.18664 150.5
[M+K]+ 224.11598 148.3
[M-H]- 184.14554 143.2
[M+Na-2H]- 206.12749 147.1
[M]+ 185.15227 144.7
[M]- 185.15337 144.7
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