CID 81160952

2460757-42-8

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC(=O)CC1(CCC1)CN

InChI

InChI=1S/C8H15NO2/c1-11-7(10)5-8(6-9)3-2-4-8/h2-6,9H2,1H3

InChIKey

BEZLONWJVKMIOY-UHFFFAOYSA-N

Compound name

methyl 2-[1-(aminomethyl)cyclobutyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 157.11028 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]+	158.11756	136.9
[M+Na]+	180.09950	141.4
[M-H]-	156.10300	139.8
[M+NH4]+	175.14410	152.5
[M+K]+	196.07344	144.1
[M+H-H2O]+	140.10754	127.2
[M+HCOO]-	202.10848	158.2
[M+CH3COO]-	216.12413	181.5
[M+Na-2H]-	178.08495	141.3
[M]+	157.10973	144.5
[M]-	157.11083	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe