CID 124220777

Nht

Structural Information

Molecular Formula
C9H18N2O4S
SMILES
CCNC1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O
InChI
InChI=1S/C9H18N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-14H,2-3H2,1H3/t4-,5-,6-,7-,8-,9?/m1/s1
InChIKey
LDFSGDVPNVYKCO-AXAWSVIQSA-N
Compound name
(3aR,5R,6S,7R,7aR)-2-(ethylamino)-5-(hydroxymethyl)-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09872 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10600 153.8
[M+Na]+ 273.08794 159.4
[M+NH4]+ 268.13254 159.7
[M+K]+ 289.06188 157.1
[M-H]- 249.09144 153.4
[M+Na-2H]- 271.07339 151.5
[M]+ 250.09817 154.3
[M]- 250.09927 154.3
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.