CID 479975

Sri 8835

Structural Information

Molecular Formula
C18H37NO4S
SMILES
CCCCCCCCCCCCS(=O)C[C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O
InChI
InChI=1S/C18H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-24(23)14-16-18(22)17(21)15(13-20)19-16/h15-22H,2-14H2,1H3/t15-,16+,17-,18-,24?/m1/s1
InChIKey
HUSYWPAFNMYXEI-HUGUOQNASA-N
Compound name
(2R,3R,4R,5R)-2-(dodecylsulfinylmethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

363.24432 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25160 190.8
[M+Na]+ 386.23354 192.6
[M-H]- 362.23704 185.7
[M+NH4]+ 381.27814 201.9
[M+K]+ 402.20748 186.8
[M+H-H2O]+ 346.24158 184.3
[M+HCOO]- 408.24252 197.6
[M+CH3COO]- 422.25817 207.2
[M+Na-2H]- 384.21899 182.9
[M]+ 363.24377 192.7
[M]- 363.24487 192.7
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.