CID 155970366

2639463-40-2

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)CC1CCC1N

InChI

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

InChIKey

QVKGMFQXAADTIA-UHFFFAOYSA-N

Compound name

methyl 2-(2-aminocyclobutyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 Da
Monoisotopic Mass: -0.1
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]+	144.10192	130.9
[M+Na]+	166.08386	135.8
[M-H]-	142.08736	133.9
[M+NH4]+	161.12846	145.3
[M+K]+	182.05780	138.8
[M+H-H2O]+	126.09190	120.2
[M+HCOO]-	188.09284	152.5
[M+CH3COO]-	202.10849	180.1
[M+Na-2H]-	164.06931	134.1
[M]+	143.09409	138.1
[M]-	143.09519	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.