CID 9079182

67804-53-9

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)N
InChI
InChI=1S/C9H12N2O2S/c10-8-3-1-4-9(7-8)11-5-2-6-14(11,12)13/h1,3-4,7H,2,5-6,10H2
InChIKey
MACVOXCGYYWJRP-UHFFFAOYSA-N
Compound name
3-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.06195 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 142.2
[M+Na]+ 235.051168 151.6
[M-H]- 211.054674 147.9
[M+NH4]+ 230.095773 163.5
[M+K]+ 251.025108 148.2
[M+H-H2O]+ 195.059210 136.3
[M+HCOO]- 257.060151 161.0
[M+CH3COO]- 271.075801 182.5
[M+Na-2H]- 233.036616 144.9
[M]+ 212.06140142 141.4
[M]- 212.06249858 141.4
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