CID 217172

38221-41-9

Structural Information

Molecular Formula
C11H17N3O2S2
SMILES
CN1CCN(CC1)C(=S)SCN2C(=O)CCC2=O
InChI
InChI=1S/C11H17N3O2S2/c1-12-4-6-13(7-5-12)11(17)18-8-14-9(15)2-3-10(14)16/h2-8H2,1H3
InChIKey
MSXMUZFDWZOUGX-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl)methyl 4-methylpiperazine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.07623 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08351 164.7
[M+Na]+ 310.06545 171.5
[M-H]- 286.06895 166.6
[M+NH4]+ 305.11005 179.1
[M+K]+ 326.03939 167.1
[M+H-H2O]+ 270.07349 157.9
[M+HCOO]- 332.07443 169.5
[M+CH3COO]- 346.09008 195.9
[M+Na-2H]- 308.05090 158.8
[M]+ 287.07568 162.8
[M]- 287.07678 162.8
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.