CID 31566

Diethyl bis(2-aminoethylthio)malonate dihydrochloride

Structural Information

Molecular Formula
C11H22N2O4S2
SMILES
CCOC(=O)C(C(=O)OCC)(SCCN)SCCN
InChI
InChI=1S/C11H22N2O4S2/c1-3-16-9(14)11(18-7-5-12,19-8-6-13)10(15)17-4-2/h3-8,12-13H2,1-2H3
InChIKey
WQMXVWDGMPECSY-UHFFFAOYSA-N
Compound name
diethyl 2,2-bis(2-aminoethylsulfanyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1021 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10938 172.0
[M+Na]+ 333.09132 174.8
[M+NH4]+ 328.13592 176.1
[M+K]+ 349.06526 169.2
[M-H]- 309.09482 168.9
[M+Na-2H]- 331.07677 170.0
[M]+ 310.10155 171.8
[M]- 310.10265 171.8
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.