CID 3040238

2-thiazolidinemethanol

Structural Information

Molecular Formula
C4H9NOS
SMILES
C1CSC(N1)CO
InChI
InChI=1S/C4H9NOS/c6-3-4-5-1-2-7-4/h4-6H,1-3H2
InChIKey
ILESGDFNOHPJBX-UHFFFAOYSA-N
Compound name
1,3-thiazolidin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

119.04048 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.047756 123.0
[M+Na]+ 142.029698 130.0
[M-H]- 118.033204 122.4
[M+NH4]+ 137.074303 145.0
[M+K]+ 158.003638 127.9
[M+H-H2O]+ 102.037740 118.0
[M+HCOO]- 164.038681 137.7
[M+CH3COO]- 178.054331 160.4
[M+Na-2H]- 140.015146 124.9
[M]+ 119.03993142 119.5
[M]- 119.04102858 119.5
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