CID 10057754

97070-43-4

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C7H12N2O2/c1-2-11-7(10)6(9)4-3-5-8/h6H,2-4,9H2,1H3

InChIKey

ASILPPKRZQUBAH-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-cyanobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 156.08987 Da
Monoisotopic Mass: -0.3
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]+	157.09715	134.2
[M+Na]+	179.07909	141.7
[M-H]-	155.08259	134.4
[M+NH4]+	174.12369	152.5
[M+K]+	195.05303	142.0
[M+H-H2O]+	139.08713	122.4
[M+HCOO]-	201.08807	153.3
[M+CH3COO]-	215.10372	192.1
[M+Na-2H]-	177.06454	137.3
[M]+	156.08932	129.7
[M]-	156.09042	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe