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

2
Patents

212.06195 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 142.2
[M+Na]+ 235.05117 151.6
[M-H]- 211.05467 147.9
[M+NH4]+ 230.09577 163.5
[M+K]+ 251.02511 148.2
[M+H-H2O]+ 195.05921 136.3
[M+HCOO]- 257.06015 161.0
[M+CH3COO]- 271.07580 182.5
[M+Na-2H]- 233.03662 144.9
[M]+ 212.06140 141.4
[M]- 212.06250 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