Alpha-galnac (C8H15NO6)

Structural Information

Molecular Formula

C₈H₁₅NO₆

SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O

InChI

InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1

InChIKey

OVRNDRQMDRJTHS-CBQIKETKSA-N

Compound name

N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Related CIDs

2D Structure

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]+	222.097216	147.0
[M+Na]+	244.079158	152.4
[M-H]-	220.082664	145.9
[M+NH4]+	239.123763	161.2
[M+K]+	260.053098	152.0
[M+H-H2O]+	204.087200	141.7
[M+HCOO]-	266.088141	161.8
[M+CH3COO]-	280.103791	182.4
[M+Na-2H]-	242.064606	148.2
[M]+	221.08939142	143.5
[M]-	221.09048858	143.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

222.097216

147.0

[M+Na]+

244.079158

152.4

[M-H]-

220.082664

145.9

[M+NH4]+

239.123763

161.2

[M+K]+

260.053098

152.0

[M+H-H2O]+

204.087200

141.7

[M+HCOO]-

266.088141

161.8

[M+CH3COO]-

280.103791

182.4

[M+Na-2H]-

242.064606

148.2

[M]+

221.08939142

143.5

[M]-

221.09048858

143.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Alpha-galnac

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe