CID 14284843

Schembl12694347

Structural Information

Molecular Formula

C₇H₁₅NO₄

SMILES

CC1C(C(C(C(O1)CO)O)O)N

InChI

InChI=1S/C7H15NO4/c1-3-5(8)7(11)6(10)4(2-9)12-3/h3-7,9-11H,2,8H2,1H3

InChIKey

XJSPDRFMLGJORM-UHFFFAOYSA-N

Compound name

5-amino-2-(hydroxymethyl)-6-methyloxane-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 177.10011 Da
Monoisotopic Mass: -1.9
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]+	178.10739	136.9
[M+Na]+	200.08933	145.1
[M+NH4]+	195.13393	143.0
[M+K]+	216.06327	142.9
[M-H]-	176.09283	137.7
[M+Na-2H]-	198.07478	137.6
[M]+	177.09956	137.8
[M]-	177.10066	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe