CID 85508

16597-65-2

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCCC(=O)OCCN(C)C

InChI

InChI=1S/C8H17NO2/c1-4-5-8(10)11-7-6-9(2)3/h4-7H2,1-3H3

InChIKey

NCOVMJHPLAYTJS-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 159.12593 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]+	160.13321	136.6
[M+Na]+	182.11515	145.5
[M+NH4]+	177.15975	143.9
[M+K]+	198.08909	140.7
[M-H]-	158.11865	136.3
[M+Na-2H]-	180.10060	139.8
[M]+	159.12538	137.5
[M]-	159.12648	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe