CID 447771

C-(1-hydrogyl-beta-d-glucopyranosyl) formamide

Structural Information

Molecular Formula
C7H13NO7
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O
InChI
InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1
InChIKey
DTZYCNDAJQDPQC-UHKLXPPTSA-N
Compound name
(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

223.0692 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07648 144.7
[M+Na]+ 246.05842 150.9
[M-H]- 222.06192 142.1
[M+NH4]+ 241.10302 159.7
[M+K]+ 262.03236 150.5
[M+H-H2O]+ 206.06646 140.8
[M+HCOO]- 268.06740 157.8
[M+CH3COO]- 282.08305 179.8
[M+Na-2H]- 244.04387 146.6
[M]+ 223.06865 140.2
[M]- 223.06975 140.2
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