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]+ 192.08666 138.0
[M+Na]+ 214.06860 144.8
[M-H]- 190.07210 138.5
[M+NH4]+ 209.11320 156.2
[M+K]+ 230.04254 144.5
[M+H-H2O]+ 174.07664 133.9
[M+HCOO]- 236.07758 155.5
[M+CH3COO]- 250.09323 176.3
[M+Na-2H]- 212.05405 143.6
[M]+ 191.07883 135.3
[M]- 191.07993 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.