CID 53393252

1186426-99-2

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CC(C)(CC(=O)N1CCCC1)N

InChI

InChI=1S/C9H18N2O/c1-9(2,10)7-8(12)11-5-3-4-6-11/h3-7,10H2,1-2H3

InChIKey

AVEALSCKRLLILA-UHFFFAOYSA-N

Compound name

3-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 170.1419 Da
Monoisotopic Mass: -0.2
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]+	171.149176	141.4
[M+Na]+	193.131118	146.2
[M-H]-	169.134624	142.4
[M+NH4]+	188.175723	161.5
[M+K]+	209.105058	145.3
[M+H-H2O]+	153.139160	135.3
[M+HCOO]-	215.140101	160.6
[M+CH3COO]-	229.155751	180.5
[M+Na-2H]-	191.116566	144.0
[M]+	170.14135142	137.3
[M]-	170.14244858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe