CID 89028850

Chebi:228143

Structural Information

Molecular Formula
C7H15NO5
SMILES
CNC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O
InChI
InChI=1S/C7H15NO5/c1-8-3-7(12)6(11)5(10)4(9)2-13-7/h4-6,8-12H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1
InChIKey
IHZWITOZCJRRQQ-MVIOUDGNSA-N
Compound name
(2R,3S,4R,5R)-2-(methylaminomethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.09502 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.102296 139.9
[M+Na]+ 216.084238 146.0
[M-H]- 192.087744 139.0
[M+NH4]+ 211.128843 157.3
[M+K]+ 232.058178 145.4
[M+H-H2O]+ 176.092280 135.9
[M+HCOO]- 238.093221 155.7
[M+CH3COO]- 252.108871 175.5
[M+Na-2H]- 214.069686 145.0
[M]+ 193.09447142 136.1
[M]- 193.09556858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe