CID 24275517

4-(hydroxymethyl)-1-(2-methoxyethyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

COCCN1CC(CC1=O)CO

InChI

InChI=1S/C8H15NO3/c1-12-3-2-9-5-7(6-10)4-8(9)11/h7,10H,2-6H2,1H3

InChIKey

KYIDEFFZCCGIET-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)-1-(2-methoxyethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 173.1052 Da
Monoisotopic Mass: -1.1
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]+	174.11248	137.3
[M+Na]+	196.09442	144.6
[M-H]-	172.09792	138.0
[M+NH4]+	191.13902	157.6
[M+K]+	212.06836	143.5
[M+H-H2O]+	156.10246	131.6
[M+HCOO]-	218.10340	158.0
[M+CH3COO]-	232.11905	176.6
[M+Na-2H]-	194.07987	139.9
[M]+	173.10465	137.7
[M]-	173.10575	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe