CID 18534126

2-acetamido-2,6-dideoxy-d-galactose

Structural Information

Molecular Formula

C₈H₁₅NO₅

SMILES

CC(C(C(C(C=O)NC(=O)C)O)O)O

InChI

InChI=1S/C8H15NO5/c1-4(11)7(13)8(14)6(3-10)9-5(2)12/h3-4,6-8,11,13-14H,1-2H3,(H,9,12)

InChIKey

CZRYIXLKTDHMMY-UHFFFAOYSA-N

Compound name

N-(3,4,5-trihydroxy-1-oxohexan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 205.09502 Da
Monoisotopic Mass: -2.4
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]+	206.10230	146.4
[M+Na]+	228.08424	149.9
[M-H]-	204.08774	142.3
[M+NH4]+	223.12884	162.4
[M+K]+	244.05818	150.3
[M+H-H2O]+	188.09228	141.3
[M+HCOO]-	250.09322	162.6
[M+CH3COO]-	264.10887	183.1
[M+Na-2H]-	226.06969	144.7
[M]+	205.09447	144.3
[M]-	205.09557	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe