CID 91662962

2-aminoethyl cyclopropanecarboxylate hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CC1C(=O)OCCN

InChI

InChI=1S/C6H11NO2/c7-3-4-9-6(8)5-1-2-5/h5H,1-4,7H2

InChIKey

ZPVNNHSDCBFLMW-UHFFFAOYSA-N

Compound name

2-aminoethyl cyclopropanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 129.07898 Da
Monoisotopic Mass: -0.4
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]+	130.08626	126.0
[M+Na]+	152.06820	134.5
[M-H]-	128.07170	130.3
[M+NH4]+	147.11280	142.7
[M+K]+	168.04214	132.9
[M+H-H2O]+	112.07624	120.2
[M+HCOO]-	174.07718	150.2
[M+CH3COO]-	188.09283	176.5
[M+Na-2H]-	150.05365	131.7
[M]+	129.07843	128.2
[M]-	129.07953	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe