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]+ 179.08488 135.4
[M+Na]+ 201.06682 143.2
[M-H]- 177.07032 137.3
[M+NH4]+ 196.11142 157.9
[M+K]+ 217.04076 141.8
[M+H-H2O]+ 161.07486 130.5
[M+HCOO]- 223.07580 152.2
[M+CH3COO]- 237.09145 177.7
[M+Na-2H]- 199.05227 136.6
[M]+ 178.07705 134.7
[M]- 178.07815 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.