CID 445722

1-deoxy-1-methoxycarbamido-beta-d-glucopyranose

Structural Information

Molecular Formula
C8H15NO7
SMILES
COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1
InChIKey
IZZJOGWXTFEDLL-XUUWZHRGSA-N
Compound name
methyl N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

237.08485 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.092126 149.0
[M+Na]+ 260.074068 154.3
[M-H]- 236.077574 148.0
[M+NH4]+ 255.118673 162.6
[M+K]+ 276.048008 154.6
[M+H-H2O]+ 220.082110 143.5
[M+HCOO]- 282.083051 164.1
[M+CH3COO]- 296.098701 184.2
[M+Na-2H]- 258.059516 150.4
[M]+ 237.08430142 147.0
[M]- 237.08539858 147.0
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