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]+ 178.03549 135.5
[M+Na]+ 200.01743 142.0
[M-H]- 176.02093 135.5
[M+NH4]+ 195.06203 155.8
[M+K]+ 215.99137 138.4
[M+H-H2O]+ 160.02547 129.8
[M+HCOO]- 222.02641 148.1
[M+CH3COO]- 236.04206 180.4
[M+Na-2H]- 198.00288 135.7
[M]+ 177.02766 137.7
[M]- 177.02876 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.