CID 11600837

5155-47-5

Structural Information

Molecular Formula
C7H15NO5
SMILES
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O)O)O
InChI
InChI=1S/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3-,4-,5+,6-,7+/m1/s1
InChIKey
BJYPUAVFYCRNFH-ZFYZTMLRSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

193.09502 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.10230 140.8
[M+Na]+ 216.08424 147.2
[M-H]- 192.08774 140.8
[M+NH4]+ 211.12884 156.9
[M+K]+ 232.05818 146.9
[M+H-H2O]+ 176.09228 135.6
[M+HCOO]- 238.09322 157.5
[M+CH3COO]- 252.10887 179.0
[M+Na-2H]- 214.06969 143.1
[M]+ 193.09447 137.8
[M]- 193.09557 137.8
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

No patent data available for this compound.