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

0
Patents

237.08485 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09213 149.0
[M+Na]+ 260.07407 154.3
[M-H]- 236.07757 148.0
[M+NH4]+ 255.11867 162.6
[M+K]+ 276.04801 154.6
[M+H-H2O]+ 220.08211 143.5
[M+HCOO]- 282.08305 164.1
[M+CH3COO]- 296.09870 184.2
[M+Na-2H]- 258.05952 150.4
[M]+ 237.08430 147.0
[M]- 237.08540 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

No patent data available for this compound.