CID 150365

1-(2-thiazolidinyl)1,2,3,4,5-pentanepentol

Structural Information

Molecular Formula
C8H17NO5S
SMILES
C1CSC(N1)C(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C8H17NO5S/c10-3-4(11)5(12)6(13)7(14)8-9-1-2-15-8/h4-14H,1-3H2
InChIKey
RCHUVONGFCEQNK-UHFFFAOYSA-N
Compound name
1-(1,3-thiazolidin-2-yl)pentane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

239.08275 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09003 153.9
[M+Na]+ 262.07197 155.1
[M-H]- 238.07547 146.9
[M+NH4]+ 257.11657 167.2
[M+K]+ 278.04591 152.8
[M+H-H2O]+ 222.08001 148.6
[M+HCOO]- 284.08095 157.8
[M+CH3COO]- 298.09660 175.4
[M+Na-2H]- 260.05742 148.4
[M]+ 239.08220 147.6
[M]- 239.08330 147.6
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