CID 5043631

62604-08-4

Structural Information

Molecular Formula
C6H11NOS2
SMILES
CSC(=S)N1CCOCC1
InChI
InChI=1S/C6H11NOS2/c1-10-6(9)7-2-4-8-5-3-7/h2-5H2,1H3
InChIKey
VJOUSDFNBHXWJA-UHFFFAOYSA-N
Compound name
methyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

177.02821 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.035486 133.6
[M+Na]+ 200.017428 139.8
[M-H]- 176.020934 135.8
[M+NH4]+ 195.062033 151.7
[M+K]+ 215.991368 138.2
[M+H-H2O]+ 160.025470 127.8
[M+HCOO]- 222.026411 141.4
[M+CH3COO]- 236.042061 175.5
[M+Na-2H]- 198.002876 134.4
[M]+ 177.02766142 132.1
[M]- 177.02875858 132.1
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