CID 3379824

3-(4-aminobutyl)-1,3-thiazolidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C7H12N2O2S
SMILES
C1C(=O)N(C(=O)S1)CCCCN
InChI
InChI=1S/C7H12N2O2S/c8-3-1-2-4-9-6(10)5-12-7(9)11/h1-5,8H2
InChIKey
NDVCULYQRPVLGL-UHFFFAOYSA-N
Compound name
3-(4-aminobutyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.06195 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06923 139.7
[M+Na]+ 211.05117 147.4
[M-H]- 187.05467 141.5
[M+NH4]+ 206.09577 160.0
[M+K]+ 227.02511 145.0
[M+H-H2O]+ 171.05921 133.7
[M+HCOO]- 233.06015 157.2
[M+CH3COO]- 247.07580 181.3
[M+Na-2H]- 209.03662 139.3
[M]+ 188.06140 139.9
[M]- 188.06250 139.9
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