CID 12303821

6-aminocyclohex-4-ene-1,2,3-triol

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1=CC(C(C(C1N)O)O)O

InChI

InChI=1S/C6H11NO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H,7H2

InChIKey

RAJLHDDMNNFKNT-UHFFFAOYSA-N

Compound name

6-aminocyclohex-4-ene-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2
Patents: 145.0739 Da
Monoisotopic Mass: -2.3
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]+	146.08118	127.4
[M+Na]+	168.06312	136.6
[M+NH4]+	163.10772	134.5
[M+K]+	184.03706	133.4
[M-H]-	144.06662	127.6
[M+Na-2H]-	166.04857	130.5
[M]+	145.07335	128.3
[M]-	145.07445	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe