CID 141228680

Schembl22968023

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(=O)NC1CC(C1)CO

InChI

InChI=1S/C7H13NO2/c1-5(10)8-7-2-6(3-7)4-9/h6-7,9H,2-4H2,1H3,(H,8,10)

InChIKey

WAONSFSDSKAZBY-UHFFFAOYSA-N

Compound name

N-[3-(hydroxymethyl)cyclobutyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 143.09464 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]+	144.10192	133.7
[M+Na]+	166.08386	138.0
[M+NH4]+	161.12846	137.1
[M+K]+	182.05780	135.6
[M-H]-	142.08736	131.4
[M+Na-2H]-	164.06931	134.5
[M]+	143.09409	132.1
[M]-	143.09519	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe