CID 512277

Refchem:583918

Structural Information

Molecular Formula
C12H23NO10
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)N
InChI
InChI=1S/C12H23NO10/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-12,14-20H,1-2,13H2/t3-,4-,5-,6+,7+,8-,9-,10+,11-,12+/m1/s1
InChIKey
JMUYOTNYEBNHGG-BCHYZRIQSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1322 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13948 177.3
[M+Na]+ 364.12142 180.5
[M-H]- 340.12492 175.5
[M+NH4]+ 359.16602 183.0
[M+K]+ 380.09536 180.9
[M+H-H2O]+ 324.12946 170.5
[M+HCOO]- 386.13040 183.0
[M+CH3COO]- 400.14605 203.6
[M+Na-2H]- 362.10687 174.0
[M]+ 341.13165 172.4
[M]- 341.13275 172.4
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.