CID 3020377

Ethyl 3-(dimethylamino)butanoate

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CCOC(=O)CC(C)N(C)C

InChI

InChI=1S/C8H17NO2/c1-5-11-8(10)6-7(2)9(3)4/h7H,5-6H2,1-4H3

InChIKey

JKSXUJFHXQYFMR-UHFFFAOYSA-N

Compound name

ethyl 3-(dimethylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 159.12593 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]+	160.13321	136.9
[M+Na]+	182.11515	145.4
[M+NH4]+	177.15975	144.0
[M+K]+	198.08909	141.5
[M-H]-	158.11865	136.3
[M+Na-2H]-	180.10060	139.6
[M]+	159.12538	137.6
[M]-	159.12648	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe