CID 170914814

2-[(2s)-2-aminopropyl]-1lambda6,2-thiazolidine-1,1-dione hydrochloride

Structural Information

Molecular Formula
C6H14N2O2S
SMILES
C[C@@H](CN1CCCS1(=O)=O)N
InChI
InChI=1S/C6H14N2O2S/c1-6(7)5-8-3-2-4-11(8,9)10/h6H,2-5,7H2,1H3/t6-/m0/s1
InChIKey
RWIFXMZHVARGNY-LURJTMIESA-N
Compound name
(2S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.0776 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.084876 135.4
[M+Na]+ 201.066818 143.2
[M-H]- 177.070324 137.3
[M+NH4]+ 196.111423 157.9
[M+K]+ 217.040758 141.8
[M+H-H2O]+ 161.074860 130.5
[M+HCOO]- 223.075801 152.2
[M+CH3COO]- 237.091451 177.7
[M+Na-2H]- 199.052266 136.6
[M]+ 178.07705142 134.7
[M]- 178.07814858 134.7
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

No patent data available for this compound.