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]+ 133.00662 122.9
[M+Na]+ 154.98856 131.2
[M-H]- 130.99206 124.2
[M+NH4]+ 150.03316 144.8
[M+K]+ 170.96250 129.2
[M+H-H2O]+ 114.99660 117.6
[M+HCOO]- 176.99754 140.9
[M+CH3COO]- 191.01319 165.4
[M+Na-2H]- 152.97401 125.7
[M]+ 131.99879 120.4
[M]- 131.99989 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