CID 13456042

Ethyl 3-(cyclopropylamino)propanoate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCOC(=O)CCNC1CC1

InChI

InChI=1S/C8H15NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h7,9H,2-6H2,1H3

InChIKey

ZRPBEAVKOMELBB-UHFFFAOYSA-N

Compound name

ethyl 3-(cyclopropylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 157.11028 Da
Monoisotopic Mass: 1.1
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]+	158.11756	134.1
[M+Na]+	180.09950	144.4
[M+NH4]+	175.14410	142.2
[M+K]+	196.07344	140.9
[M-H]-	156.10300	141.7
[M+Na-2H]-	178.08495	140.9
[M]+	157.10973	138.5
[M]-	157.11083	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe