CID 11789917

(2r)-n-tert-butylpiperazine-2-carboxamide

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: 0
References: 14
Patents: 185.15282 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.160096	146.6
[M+Na]+	208.142038	149.9
[M-H]-	184.145544	143.7
[M+NH4]+	203.186643	161.8
[M+K]+	224.115978	147.4
[M+H-H2O]+	168.150080	140.0
[M+HCOO]-	230.151021	160.1
[M+CH3COO]-	244.166671	178.5
[M+Na-2H]-	206.127486	150.6
[M]+	185.15227142	138.2
[M]-	185.15336858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe