CID 84072735

1159991-46-4

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC1(CCC(=O)N1)CO

InChI

InChI=1S/C6H11NO2/c1-6(4-8)3-2-5(9)7-6/h8H,2-4H2,1H3,(H,7,9)

InChIKey

ZNAPPCVBCHWFFH-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-5-methylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 129.07898 Da
Monoisotopic Mass: -0.8
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]+	130.086256	126.0
[M+Na]+	152.068198	133.8
[M-H]-	128.071704	125.7
[M+NH4]+	147.112803	149.2
[M+K]+	168.042138	132.0
[M+H-H2O]+	112.076240	121.8
[M+HCOO]-	174.077181	145.7
[M+CH3COO]-	188.092831	164.3
[M+Na-2H]-	150.053646	131.0
[M]+	129.07843142	122.2
[M]-	129.07952858	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe