CID 55005

83481-69-0

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

CC(C#CCN1CCCC1)N(C)C(=O)C

InChI

InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3

InChIKey

VHYUYQHTMPWAPK-UHFFFAOYSA-N

Compound name

N-methyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 22
References: 25
Patents: 208.15756 Da
Monoisotopic Mass: 0.7
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]+	209.16484	151.4
[M+Na]+	231.14678	157.5
[M-H]-	207.15028	152.3
[M+NH4]+	226.19138	168.5
[M+K]+	247.12072	155.4
[M+H-H2O]+	191.15482	137.8
[M+HCOO]-	253.15576	165.9
[M+CH3COO]-	267.17141	198.4
[M+Na-2H]-	229.13223	150.4
[M]+	208.15701	144.5
[M]-	208.15811	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe