CID 19716

Oxotremorine 1

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

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

InChI

InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3

InChIKey

HWYHDWGGACRVEH-UHFFFAOYSA-N

Compound name

N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 480
Patents: 194.1419 Da
Monoisotopic Mass: 0.3
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]+	195.14918	146.3
[M+Na]+	217.13112	153.0
[M-H]-	193.13462	147.2
[M+NH4]+	212.17572	163.9
[M+K]+	233.10506	150.7
[M+H-H2O]+	177.13916	132.7
[M+HCOO]-	239.14010	162.0
[M+CH3COO]-	253.15575	194.9
[M+Na-2H]-	215.11657	146.9
[M]+	194.14135	139.6
[M]-	194.14245	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe