CID 14183656

3-amino-3-methylpyrrolidin-2-one

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CC1(CCNC1=O)N

InChI

InChI=1S/C5H10N2O/c1-5(6)2-3-7-4(5)8/h2-3,6H2,1H3,(H,7,8)

InChIKey

ADCBCVDWUYMSGD-UHFFFAOYSA-N

Compound name

3-amino-3-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 114.079315 Da
Monoisotopic Mass: -1.0
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]+	115.08659	122.5
[M+Na]+	137.06853	131.1
[M+NH4]+	132.11314	131.6
[M+K]+	153.04247	126.7
[M-H]-	113.07204	122.6
[M+Na-2H]-	135.05398	127.5
[M]+	114.07877	123.4
[M]-	114.07986	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe