CID 12892

729-46-4

Structural Information

Molecular Formula
C10H16N2O2S4
SMILES
C1COCCN1C(=S)SSC(=S)N2CCOCC2
InChI
InChI=1S/C10H16N2O2S4/c15-9(11-1-5-13-6-2-11)17-18-10(16)12-3-7-14-8-4-12/h1-8H2
InChIKey
KKVYOWPPMNSLCP-UHFFFAOYSA-N
Compound name
morpholine-4-carbothioylsulfanyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

101
Patents

324.00946 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.016736 166.7
[M+Na]+ 346.998678 170.2
[M-H]- 323.002184 167.7
[M+NH4]+ 342.043283 175.4
[M+K]+ 362.972618 164.6
[M+H-H2O]+ 307.006720 160.7
[M+HCOO]- 369.007661 158.4
[M+CH3COO]- 383.023311 172.6
[M+Na-2H]- 344.984126 165.1
[M]+ 324.00891142 158.5
[M]- 324.01000858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe