CID 54383062

1311313-77-5

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCOC(=O)C(C1CC1)N

InChI

InChI=1S/C7H13NO2/c1-2-10-7(9)6(8)5-3-4-5/h5-6H,2-4,8H2,1H3

InChIKey

BESPXVHLGXOILQ-UHFFFAOYSA-N

Compound name

ethyl 2-amino-2-cyclopropylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 143.09464 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]+	144.101916	130.0
[M+Na]+	166.083858	137.9
[M-H]-	142.087364	134.2
[M+NH4]+	161.128463	146.2
[M+K]+	182.057798	136.5
[M+H-H2O]+	126.091900	124.2
[M+HCOO]-	188.092841	153.1
[M+CH3COO]-	202.108491	180.3
[M+Na-2H]-	164.069306	134.1
[M]+	143.09409142	132.0
[M]-	143.09518858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe