CID 64974245

Ethyl 3-(ethoxyamino)butanoate

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CCOC(=O)CC(C)NOCC

InChI

InChI=1S/C8H17NO3/c1-4-11-8(10)6-7(3)9-12-5-2/h7,9H,4-6H2,1-3H3

InChIKey

HJWIBXQTIRMVNY-UHFFFAOYSA-N

Compound name

ethyl 3-(ethoxyamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.12085 Da
Monoisotopic Mass: 0.8
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]+	176.12813	140.7
[M+Na]+	198.11007	146.0
[M-H]-	174.11357	140.7
[M+NH4]+	193.15467	160.6
[M+K]+	214.08401	147.0
[M+H-H2O]+	158.11811	135.1
[M+HCOO]-	220.11905	163.8
[M+CH3COO]-	234.13470	184.1
[M+Na-2H]-	196.09552	144.3
[M]+	175.12030	144.2
[M]-	175.12140	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.