CID 165606093

2751704-49-9

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CC1(CC(C1)(CO)O)N

InChI

InChI=1S/C6H13NO2/c1-5(7)2-6(9,3-5)4-8/h8-9H,2-4,7H2,1H3

InChIKey

KLWDLEDRNAPGBR-UHFFFAOYSA-N

Compound name

3-amino-1-(hydroxymethyl)-3-methylcyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 131.09464 Da
Monoisotopic Mass: -1.5
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	128.9
[M+Na]+	154.08386	133.1
[M+NH4]+	149.12846	135.1
[M+K]+	170.05780	127.7
[M-H]-	130.08736	126.4
[M+Na-2H]-	152.06931	132.6
[M]+	131.09409	127.6
[M]-	131.09519	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.