CID 11321368

253175-42-7

Structural Information

Molecular Formula

C₉H₁₉N₃O

SMILES

CC(C)(C)NC(=O)N1CCNCC1

InChI

InChI=1S/C9H19N3O/c1-9(2,3)11-8(13)12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)

InChIKey

MFQDOVOQMLPMEW-UHFFFAOYSA-N

Compound name

N-tert-butylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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]+	186.16010	144.5
[M+Na]+	208.14204	152.3
[M+NH4]+	203.18664	150.8
[M+K]+	224.11598	148.5
[M-H]-	184.14554	143.7
[M+Na-2H]-	206.12749	147.7
[M]+	185.15227	144.9
[M]-	185.15337	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe