CID 55284235

Ethyl 2-amino-3-cyanopropanoate

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C6H10N2O2/c1-2-10-6(9)5(8)3-4-7/h5H,2-3,8H2,1H3

InChIKey

XLOLZUYPNSADOK-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-cyanopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.07423 Da
Monoisotopic Mass: -0.7
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]+	143.08151	130.2
[M+Na]+	165.06345	138.1
[M-H]-	141.06695	130.6
[M+NH4]+	160.10805	149.0
[M+K]+	181.03739	138.6
[M+H-H2O]+	125.07149	118.6
[M+HCOO]-	187.07243	149.6
[M+CH3COO]-	201.08808	189.4
[M+Na-2H]-	163.04890	133.8
[M]+	142.07368	125.4
[M]-	142.07478	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.