CID 2756256

4-(diethylamino)but-2-yn-1-yl acetate

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCN(CC)CC#CCOC(=O)C

InChI

InChI=1S/C10H17NO2/c1-4-11(5-2)8-6-7-9-13-10(3)12/h4-5,8-9H2,1-3H3

InChIKey

AQEDWWHCJSXKHP-UHFFFAOYSA-N

Compound name

4-(diethylamino)but-2-ynyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 183.12593 Da
Monoisotopic Mass: 0.9
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]+	184.133206	141.1
[M+Na]+	206.115148	148.8
[M-H]-	182.118654	141.7
[M+NH4]+	201.159753	159.4
[M+K]+	222.089088	148.4
[M+H-H2O]+	166.123190	129.6
[M+HCOO]-	228.124131	159.3
[M+CH3COO]-	242.139781	195.2
[M+Na-2H]-	204.100596	144.0
[M]+	183.12538142	139.4
[M]-	183.12647858	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe