CID 479976

Sri 8824

Structural Information

Molecular Formula
C18H37NO5S
SMILES
CCCCCCCCCCCCS(=O)(=O)C[C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O
InChI
InChI=1S/C18H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-25(23,24)14-16-18(22)17(21)15(13-20)19-16/h15-22H,2-14H2,1H3/t15-,16+,17-,18-/m1/s1
InChIKey
KPIOUCRAKLBQGQ-XMTFNYHQSA-N
Compound name
(2R,3R,4R,5R)-2-(dodecylsulfonylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.23926 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.24654 193.7
[M+Na]+ 402.22848 196.0
[M-H]- 378.23198 188.8
[M+NH4]+ 397.27308 204.1
[M+K]+ 418.20242 190.2
[M+H-H2O]+ 362.23652 187.7
[M+HCOO]- 424.23746 200.3
[M+CH3COO]- 438.25311 208.3
[M+Na-2H]- 400.21393 188.3
[M]+ 379.23871 196.4
[M]- 379.23981 196.4
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

No patent data available for this compound.