CID 87901

2-acetamido-2-deoxy-d-glucono-1,5-lactone

Structural Information

Molecular Formula
C8H13NO6
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O
InChI
InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1
InChIKey
NELQYZRSPDCGRQ-DBRKOABJSA-N
Compound name
N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxooxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

81
Patents

219.07428 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08156 144.7
[M+Na]+ 242.06350 150.9
[M-H]- 218.06700 145.1
[M+NH4]+ 237.10810 159.7
[M+K]+ 258.03744 150.7
[M+H-H2O]+ 202.07154 139.4
[M+HCOO]- 264.07248 161.3
[M+CH3COO]- 278.08813 183.8
[M+Na-2H]- 240.04895 146.5
[M]+ 219.07373 142.4
[M]- 219.07483 142.4
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