CID 39871617

766458-70-2

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COC(=O)C1CC(C1)N

InChI

InChI=1S/C6H11NO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3,7H2,1H3

InChIKey

XWBSFYWZNUKOEY-UHFFFAOYSA-N

Compound name

methyl 3-aminocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 279
Patents: 129.07898 Da
Monoisotopic Mass: -0.3
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]+	130.086256	126.1
[M+Na]+	152.068198	131.5
[M-H]-	128.071704	129.3
[M+NH4]+	147.112803	141.2
[M+K]+	168.042138	134.7
[M+H-H2O]+	112.076240	115.7
[M+HCOO]-	174.077181	148.1
[M+CH3COO]-	188.092831	177.2
[M+Na-2H]-	150.053646	130.0
[M]+	129.07843142	133.1
[M]-	129.07952858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe