CID 135574832

2,4-thiazolidinedione, 4-oxime

Structural Information

Molecular Formula
C3H4N2O2S
SMILES
C1/C(=N\O)/NC(=O)S1
InChI
InChI=1S/C3H4N2O2S/c6-3-4-2(5-7)1-8-3/h7H,1H2,(H,4,5,6)
InChIKey
CKRVGDVXXCIOIQ-UHFFFAOYSA-N
Compound name
(4E)-4-hydroxyimino-1,3-thiazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

131.99934 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.006616 122.9
[M+Na]+ 154.988558 131.2
[M-H]- 130.992064 124.2
[M+NH4]+ 150.033163 144.8
[M+K]+ 170.962498 129.2
[M+H-H2O]+ 114.996600 117.6
[M+HCOO]- 176.997541 140.9
[M+CH3COO]- 191.013191 165.4
[M+Na-2H]- 152.974006 125.7
[M]+ 131.99879142 120.4
[M]- 131.99988858 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe