CID 217170

(2,5-dioxopyrrolidin-1-yl)methyl morpholine-4-carbodithioate

Structural Information

Molecular Formula
C10H14N2O3S2
SMILES
C1CC(=O)N(C1=O)CSC(=S)N2CCOCC2
InChI
InChI=1S/C10H14N2O3S2/c13-8-1-2-9(14)12(8)7-17-10(16)11-3-5-15-6-4-11/h1-7H2
InChIKey
DNJMKJFUSRMOOO-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl)methyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0446 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05188 160.1
[M+Na]+ 297.03382 166.4
[M-H]- 273.03732 163.8
[M+NH4]+ 292.07842 174.8
[M+K]+ 313.00776 163.8
[M+H-H2O]+ 257.04186 153.9
[M+HCOO]- 319.04280 166.1
[M+CH3COO]- 333.05845 191.2
[M+Na-2H]- 295.01927 156.3
[M]+ 274.04405 158.7
[M]- 274.04515 158.7
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.