CID 11665493

74867-91-7

Structural Information

Molecular Formula
C6H13NO5
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)N)O)O)O)O
InChI
InChI=1S/C6H13NO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6?/m1/s1
InChIKey
WCWOEQFAYSXBRK-SVZMEOIVSA-N
Compound name
(3R,4S,5R,6R)-2-amino-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

624
Patents

179.07938 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.086656 137.2
[M+Na]+ 202.068598 143.6
[M-H]- 178.072104 135.9
[M+NH4]+ 197.113203 153.0
[M+K]+ 218.042538 142.6
[M+H-H2O]+ 162.076640 132.3
[M+HCOO]- 224.077581 152.6
[M+CH3COO]- 238.093231 173.9
[M+Na-2H]- 200.054046 139.4
[M]+ 179.07883142 131.9
[M]- 179.07992858 131.9
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