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: 14
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]+	144.10192	130.6
[M+Na]+	166.08386	140.5
[M+NH4]+	161.12846	138.6
[M+K]+	182.05780	138.2
[M-H]-	142.08736	137.9
[M+Na-2H]-	164.06931	136.9
[M]+	143.09409	134.8
[M]-	143.09519	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe