CID 3079834

Methyl (2-(ethenyloxy)ethyl)carbamodithioate

Structural Information

Molecular Formula
C6H11NOS2
SMILES
CSC(=S)NCCOC=C
InChI
InChI=1S/C6H11NOS2/c1-3-8-5-4-7-6(9)10-2/h3H,1,4-5H2,2H3,(H,7,9)
InChIKey
YQDJHSCKNKBRSF-UHFFFAOYSA-N
Compound name
methyl N-(2-ethenoxyethyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.02821 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.035486 135.5
[M+Na]+ 200.017428 142.0
[M-H]- 176.020934 135.5
[M+NH4]+ 195.062033 155.8
[M+K]+ 215.991368 138.4
[M+H-H2O]+ 160.025470 129.8
[M+HCOO]- 222.026411 148.1
[M+CH3COO]- 236.042061 180.4
[M+Na-2H]- 198.002876 135.7
[M]+ 177.02766142 137.7
[M]- 177.02875858 137.7
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.