CID 150124

6-azido-6-deoxy-d-galactose

Structural Information

Molecular Formula

C₆H₁₁N₃O₅

SMILES

C([C@H]([C@@H]([C@@H]([C@H](C=O)O)O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C6H11N3O5/c7-9-8-1-3(11)5(13)6(14)4(12)2-10/h2-6,11-14H,1H2/t3-,4+,5+,6-/m1/s1

InChIKey

HEYJIJWKSGKYTQ-DPYQTVNSSA-N

Compound name

(2R,3S,4S,5R)-6-azido-2,3,4,5-tetrahydroxyhexanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 598
Patents: 205.06987 Da
Monoisotopic Mass: -1.8
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]+	206.07715	139.6
[M+Na]+	228.05909	143.0
[M-H]-	204.06259	136.9
[M+NH4]+	223.10369	155.2
[M+K]+	244.03303	138.6
[M+H-H2O]+	188.06713	138.4
[M+HCOO]-	250.06807	161.7
[M+CH3COO]-	264.08372	178.5
[M+Na-2H]-	226.04454	143.6
[M]+	205.06932	134.7
[M]-	205.07042	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe