CID 55285809

1208989-40-5

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1C(CC1(CO)CO)N

InChI

InChI=1S/C6H13NO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4,7H2

InChIKey

ZGAVNCNNYZDUIW-UHFFFAOYSA-N

Compound name

[3-amino-1-(hydroxymethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 131.09464 Da
Monoisotopic Mass: -1.4
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]+	132.10192	129.3
[M+Na]+	154.08386	133.4
[M+NH4]+	149.12846	134.2
[M+K]+	170.05780	129.6
[M-H]-	130.08736	126.8
[M+Na-2H]-	152.06931	131.4
[M]+	131.09409	127.8
[M]-	131.09519	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe