CID 20213381

Ethyl 2-(cyclopropylamino)propanoate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCOC(=O)C(C)NC1CC1

InChI

InChI=1S/C8H15NO2/c1-3-11-8(10)6(2)9-7-4-5-7/h6-7,9H,3-5H2,1-2H3

InChIKey

HULIOAYHEJWNGC-UHFFFAOYSA-N

Compound name

ethyl 2-(cyclopropylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 157.11028 Da
Monoisotopic Mass: 1.0
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]+	158.117556	134.5
[M+Na]+	180.099498	142.0
[M-H]-	156.103004	139.1
[M+NH4]+	175.144103	150.4
[M+K]+	196.073438	140.7
[M+H-H2O]+	140.107540	128.5
[M+HCOO]-	202.108481	157.8
[M+CH3COO]-	216.124131	183.8
[M+Na-2H]-	178.084946	139.0
[M]+	157.10973142	137.9
[M]-	157.11082858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe