CID 45791026

959237-10-6

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CCN1CC(CC1=O)CNC

InChI

InChI=1S/C8H16N2O/c1-3-10-6-7(5-9-2)4-8(10)11/h7,9H,3-6H2,1-2H3

InChIKey

ULMIVQRUJOTETO-UHFFFAOYSA-N

Compound name

1-ethyl-4-(methylaminomethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.12627 Da
Monoisotopic Mass: -0.4
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	134.9
[M+Na]+	179.11549	141.8
[M-H]-	155.11899	137.0
[M+NH4]+	174.16009	156.4
[M+K]+	195.08943	140.6
[M+H-H2O]+	139.12353	128.8
[M+HCOO]-	201.12447	157.7
[M+CH3COO]-	215.14012	180.0
[M+Na-2H]-	177.10094	138.3
[M]+	156.12572	133.5
[M]-	156.12682	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe