CID 5460401

N-acetyl-d-galactosaminate

Structural Information

Molecular Formula
C8H15NO7
SMILES
CC(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)O
InChI
InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5-,6-,7-/m1/s1
InChIKey
LZKNVSNNPRQZJB-DBRKOABJSA-N
Compound name
(2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

57
Patents

237.08485 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09213 151.6
[M+Na]+ 260.07407 153.3
[M+NH4]+ 255.11867 152.8
[M+K]+ 276.04801 156.5
[M-H]- 236.07757 144.0
[M+Na-2H]- 258.05952 147.1
[M]+ 237.08430 148.5
[M]- 237.08540 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe