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]+ 194.10230 139.9
[M+Na]+ 216.08424 146.0
[M-H]- 192.08774 139.0
[M+NH4]+ 211.12884 157.3
[M+K]+ 232.05818 145.4
[M+H-H2O]+ 176.09228 135.9
[M+HCOO]- 238.09322 155.7
[M+CH3COO]- 252.10887 175.5
[M+Na-2H]- 214.06969 145.0
[M]+ 193.09447 136.1
[M]- 193.09557 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