CID 64904614

2248388-31-8

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1C(=O)CC1(CN)CO

InChI

InChI=1S/C6H11NO2/c7-3-6(4-8)1-5(9)2-6/h8H,1-4,7H2

InChIKey

PMRSOCKNKWBTOM-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-3-(hydroxymethyl)cyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.07898 Da
Monoisotopic Mass: -1.8
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]+	130.08626	128.4
[M+Na]+	152.06820	133.0
[M+NH4]+	147.11280	133.3
[M+K]+	168.04214	128.8
[M-H]-	128.07170	126.1
[M+Na-2H]-	150.05365	131.0
[M]+	129.07843	127.0
[M]-	129.07953	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.