CID 154814512

2551120-00-2

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

COC(=O)C1(CC(C1)C#C)N

InChI

InChI=1S/C8H11NO2/c1-3-6-4-8(9,5-6)7(10)11-2/h1,6H,4-5,9H2,2H3

InChIKey

VMBJDRYNCRBZHO-UHFFFAOYSA-N

Compound name

methyl 1-amino-3-ethynylcyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.07898 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]+	154.08626	134.6
[M+Na]+	176.06820	139.8
[M+NH4]+	171.11280	136.3
[M+K]+	192.04214	132.8
[M-H]-	152.07170	125.1
[M+Na-2H]-	174.05365	134.6
[M]+	153.07843	130.7
[M]-	153.07953	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.