CID 130812743

2126163-26-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC(=O)CC1CC(C1)N

InChI

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

InChIKey

UPEINOXKGUAGPX-UHFFFAOYSA-N

Compound name

methyl 2-(3-aminocyclobutyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	144.101916	130.9
[M+Na]+	166.083858	135.8
[M-H]-	142.087364	133.9
[M+NH4]+	161.128463	145.3
[M+K]+	182.057798	138.8
[M+H-H2O]+	126.091900	120.2
[M+HCOO]-	188.092841	152.5
[M+CH3COO]-	202.108491	180.1
[M+Na-2H]-	164.069306	134.1
[M]+	143.09409142	138.1
[M]-	143.09518858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe