CID 199230

3854-02-2

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CN(C)CC#CCN1CCCC1=O

InChI

InChI=1S/C10H16N2O/c1-11(2)7-3-4-8-12-9-5-6-10(12)13/h5-9H2,1-2H3

InChIKey

VFCXPAQOWQSKLL-UHFFFAOYSA-N

Compound name

1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 3
Patents: 180.12627 Da
Monoisotopic Mass: -0.1
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]+	181.13355	140.0
[M+Na]+	203.11549	148.0
[M-H]-	179.11899	141.3
[M+NH4]+	198.16009	158.4
[M+K]+	219.08943	145.7
[M+H-H2O]+	163.12353	126.9
[M+HCOO]-	225.12447	156.9
[M+CH3COO]-	239.14012	193.1
[M+Na-2H]-	201.10094	141.7
[M]+	180.12572	134.0
[M]-	180.12682	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe