CID 445825

Alpha-d-glucopyranosyl-2-carboxylic acid amide

Structural Information

Molecular Formula
C7H13NO6
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O
InChI
InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5-,6+/m1/s1
InChIKey
UKWLGCFJAVEFPE-DVKNGEFBSA-N
Compound name
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

207.07428 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08156 142.8
[M+Na]+ 230.06350 148.7
[M-H]- 206.06700 141.4
[M+NH4]+ 225.10810 157.3
[M+K]+ 246.03744 148.1
[M+H-H2O]+ 190.07154 137.7
[M+HCOO]- 252.07248 157.3
[M+CH3COO]- 266.08813 179.6
[M+Na-2H]- 228.04895 143.4
[M]+ 207.07373 138.1
[M]- 207.07483 138.1
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