CID 98103

Ethyl 3-aminobutyrate

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCOC(=O)CC(C)N

InChI

InChI=1S/C6H13NO2/c1-3-9-6(8)4-5(2)7/h5H,3-4,7H2,1-2H3

InChIKey

HHIOOBJZIASBFF-UHFFFAOYSA-N

Compound name

ethyl 3-aminobutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 747
Patents: 131.09464 Da
Monoisotopic Mass: -0.1
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]+	132.101916	129.2
[M+Na]+	154.083858	135.4
[M-H]-	130.087364	129.1
[M+NH4]+	149.128463	150.7
[M+K]+	170.057798	136.0
[M+H-H2O]+	114.091900	124.3
[M+HCOO]-	176.092841	152.1
[M+CH3COO]-	190.108491	175.3
[M+Na-2H]-	152.069306	132.8
[M]+	131.09409142	129.4
[M]-	131.09518858	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe