CID 27252

N-(4-(1-pyrrolidinyl)-2-butynyl)butyramide

Structural Information

Molecular Formula

C₁₂H₂₀N₂O

SMILES

CCCC(=O)NCC#CCN1CCCC1

InChI

InChI=1S/C12H20N2O/c1-2-7-12(15)13-8-3-4-9-14-10-5-6-11-14/h2,5-11H2,1H3,(H,13,15)

InChIKey

UHUPGWYNELTGDN-UHFFFAOYSA-N

Compound name

N-(4-pyrrolidin-1-ylbut-2-ynyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.15756 Da
Monoisotopic Mass: 1.0
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]+	209.164836	150.2
[M+Na]+	231.146778	156.3
[M-H]-	207.150284	149.6
[M+NH4]+	226.191383	166.7
[M+K]+	247.120718	152.7
[M+H-H2O]+	191.154820	136.6
[M+HCOO]-	253.155761	165.2
[M+CH3COO]-	267.171411	194.5
[M+Na-2H]-	229.132226	151.0
[M]+	208.15701142	142.7
[M]-	208.15810858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe