CID 22002031

1220031-32-2

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

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

InChI

InChI=1S/C8H16N2O/c1-8(2,9)7(11)10-5-3-4-6-10/h3-6,9H2,1-2H3

InChIKey

XKQJONBYPWBBMO-UHFFFAOYSA-N

Compound name

2-amino-2-methyl-1-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 156.12627 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]+	157.13355	136.8
[M+Na]+	179.11549	142.0
[M-H]-	155.11899	138.0
[M+NH4]+	174.16009	157.5
[M+K]+	195.08943	141.4
[M+H-H2O]+	139.12353	130.9
[M+HCOO]-	201.12447	156.4
[M+CH3COO]-	215.14012	177.5
[M+Na-2H]-	177.10094	139.9
[M]+	156.12572	132.3
[M]-	156.12682	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe