CID 3063081

99767-93-8

Structural Information

Molecular Formula
C8H14N2O2S2
SMILES
CC(=O)CSC(=S)N1CCOCC1N
InChI
InChI=1S/C8H14N2O2S2/c1-6(11)5-14-8(13)10-2-3-12-4-7(10)9/h7H,2-5,9H2,1H3
InChIKey
XYISWCMJECLGBF-UHFFFAOYSA-N
Compound name
2-oxopropyl 3-aminomorpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.04967 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05695 149.6
[M+Na]+ 257.03889 154.4
[M-H]- 233.04239 150.8
[M+NH4]+ 252.08349 164.6
[M+K]+ 273.01283 151.8
[M+H-H2O]+ 217.04693 143.0
[M+HCOO]- 279.04787 156.1
[M+CH3COO]- 293.06352 188.7
[M+Na-2H]- 255.02434 147.7
[M]+ 234.04912 147.4
[M]- 234.05022 147.4
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.