CID 214136

27759-72-4

Structural Information

Molecular Formula
C9H16N2OS2
SMILES
CN(C)C(=S)CC(=S)N1CCOCC1
InChI
InChI=1S/C9H16N2OS2/c1-10(2)8(13)7-9(14)11-3-5-12-6-4-11/h3-7H2,1-2H3
InChIKey
PANIXMPGCXCEJE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-morpholin-4-yl-3-sulfanylidenepropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0704 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07768 150.4
[M+Na]+ 255.05962 154.4
[M-H]- 231.06312 153.3
[M+NH4]+ 250.10422 166.3
[M+K]+ 271.03356 153.0
[M+H-H2O]+ 215.06766 143.5
[M+HCOO]- 277.06860 157.5
[M+CH3COO]- 291.08425 192.5
[M+Na-2H]- 253.04507 148.9
[M]+ 232.06985 149.1
[M]- 232.07095 149.1
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.