CID 169492784

Chebi:228144

Structural Information

Molecular Formula
C7H13NO5
SMILES
CN=C[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C7H13NO5/c1-8-3-7(12)6(11)5(10)4(9)2-13-7/h3-6,9-12H,2H2,1H3/t4-,5-,6+,7-/m1/s1
InChIKey
UQOVWFANUPNLKD-MVIOUDGNSA-N
Compound name
(2R,3S,4R,5R)-2-(methyliminomethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07938 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.086656 138.0
[M+Na]+ 214.068598 144.8
[M-H]- 190.072104 138.5
[M+NH4]+ 209.113203 156.2
[M+K]+ 230.042538 144.5
[M+H-H2O]+ 174.076640 133.9
[M+HCOO]- 236.077581 155.5
[M+CH3COO]- 250.093231 176.3
[M+Na-2H]- 212.054046 143.6
[M]+ 191.07883142 135.3
[M]- 191.07992858 135.3
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.