CID 10466198

Ethyl 1-thio-d-galactopyranoside

Structural Information

Molecular Formula
C8H16O5S
SMILES
CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8+/m1/s1
InChIKey
CHAHFVCHPSPXOE-HNEXDWKRSA-N
Compound name
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

224.07184 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07912 146.8
[M+Na]+ 247.06106 152.7
[M-H]- 223.06456 145.5
[M+NH4]+ 242.10566 161.9
[M+K]+ 263.03500 150.6
[M+H-H2O]+ 207.06910 142.1
[M+HCOO]- 269.07004 156.1
[M+CH3COO]- 283.08569 178.8
[M+Na-2H]- 245.04651 146.3
[M]+ 224.07129 146.2
[M]- 224.07239 146.2
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