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]+ 194.102296 140.8
[M+Na]+ 216.084238 147.2
[M-H]- 192.087744 140.8
[M+NH4]+ 211.128843 156.9
[M+K]+ 232.058178 146.9
[M+H-H2O]+ 176.092280 135.6
[M+HCOO]- 238.093221 157.5
[M+CH3COO]- 252.108871 179.0
[M+Na-2H]- 214.069686 143.1
[M]+ 193.09447142 137.8
[M]- 193.09556858 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

literature stripe

Patent stripe

patents stripe