CID 135392497

2839128-58-2

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1C(CC1(CN)O)O

InChI

InChI=1S/C5H11NO2/c6-3-5(8)1-4(7)2-5/h4,7-8H,1-3,6H2

InChIKey

AYECOYSQBRMCIH-UHFFFAOYSA-N

Compound name

1-(aminomethyl)cyclobutane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 117.07898 Da
Monoisotopic Mass: -1.6
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]+	118.08626	124.9
[M+Na]+	140.06820	129.2
[M+NH4]+	135.11280	129.9
[M+K]+	156.04214	125.6
[M-H]-	116.07170	122.4
[M+Na-2H]-	138.05365	127.3
[M]+	117.07843	123.4
[M]-	117.07953	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.