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: 38
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	146.3
[M+Na]+	208.14204	150.0
[M-H]-	184.14554	144.8
[M+NH4]+	203.18664	162.3
[M+K]+	224.11598	148.5
[M+H-H2O]+	168.15008	139.4
[M+HCOO]-	230.15102	161.3
[M+CH3COO]-	244.16667	180.3
[M+Na-2H]-	206.12749	150.8
[M]+	185.15227	139.6
[M]-	185.15337	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe