CID 46926120

N-iodoacetyl-glucosamine

Structural Information

Molecular Formula
C8H14INO6
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)NC(=O)CI)O)O)O
InChI
InChI=1S/C8H14INO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6-,7-,8?/m1/s1
InChIKey
FAQNRQQRXPAZHI-ZQLGFOCFSA-N
Compound name
2-iodo-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

346.98657 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.99385 170.0
[M+Na]+ 369.97579 168.0
[M-H]- 345.97929 162.2
[M+NH4]+ 365.02039 178.7
[M+K]+ 385.94973 173.0
[M+H-H2O]+ 329.98383 160.6
[M+HCOO]- 391.98477 179.6
[M+CH3COO]- 406.00042 193.6
[M+Na-2H]- 367.96124 157.9
[M]+ 346.98602 164.0
[M]- 346.98712 164.0
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