CID 17753825

Ns00071979

Structural Information

Molecular Formula
C13H23NO8
SMILES
C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)N[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO
InChI
InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7-,8+,9+,10+,11+,12-,13-/m1/s1
InChIKey
RBZIIHWPZWOIDU-ASFXBWNHSA-N
Compound name
(2R,3R,4S,5S,6R)-6-methyl-5-[[(1S,4S,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14236 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14964 173.6
[M+Na]+ 344.13158 177.7
[M-H]- 320.13508 171.8
[M+NH4]+ 339.17618 182.0
[M+K]+ 360.10552 175.9
[M+H-H2O]+ 304.13962 167.4
[M+HCOO]- 366.14056 181.6
[M+CH3COO]- 380.15621 200.3
[M+Na-2H]- 342.11703 170.4
[M]+ 321.14181 167.6
[M]- 321.14291 167.6
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.