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 153.0
[M+Na]+ 273.08794 158.4
[M-H]- 249.09144 150.9
[M+NH4]+ 268.13254 168.2
[M+K]+ 289.06188 155.3
[M+H-H2O]+ 233.09598 148.4
[M+HCOO]- 295.09692 160.8
[M+CH3COO]- 309.11257 185.5
[M+Na-2H]- 271.07339 152.8
[M]+ 250.09817 149.7
[M]- 250.09927 149.7
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.