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 146.6
[M+Na]+ 208.14204 149.9
[M-H]- 184.14554 143.7
[M+NH4]+ 203.18664 161.8
[M+K]+ 224.11598 147.4
[M+H-H2O]+ 168.15008 140.0
[M+HCOO]- 230.15102 160.1
[M+CH3COO]- 244.16667 178.5
[M+Na-2H]- 206.12749 150.6
[M]+ 185.15227 138.2
[M]- 185.15337 138.2
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