CID 28064294

(3r)-3-amino-1-methylpyrrolidin-2-one hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

CN1CC[C@H](C1=O)N

InChI

InChI=1S/C5H10N2O/c1-7-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3/t4-/m1/s1

InChIKey

VZDMTWJWRRUJED-SCSAIBSYSA-N

Compound name

(3R)-3-amino-1-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 454
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	121.6
[M+Na]+	137.06853	129.9
[M-H]-	113.07204	123.7
[M+NH4]+	132.11314	144.5
[M+K]+	153.04247	129.0
[M+H-H2O]+	97.076575	116.1
[M+HCOO]-	159.07752	144.8
[M+CH3COO]-	173.09317	170.1
[M+Na-2H]-	135.05398	125.5
[M]+	114.07877	118.1
[M]-	114.07986	118.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe