CID 3079835

126560-43-8

Structural Information

Molecular Formula
C7H13NOS2
SMILES
CCSC(=S)NCCOC=C
InChI
InChI=1S/C7H13NOS2/c1-3-9-6-5-8-7(10)11-4-2/h3H,1,4-6H2,2H3,(H,8,10)
InChIKey
KMJLLYXNNVBEDF-UHFFFAOYSA-N
Compound name
ethyl N-(2-ethenoxyethyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.04385 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05113 139.7
[M+Na]+ 214.03307 145.7
[M-H]- 190.03657 139.5
[M+NH4]+ 209.07767 159.5
[M+K]+ 230.00701 141.9
[M+H-H2O]+ 174.04111 133.8
[M+HCOO]- 236.04205 152.0
[M+CH3COO]- 250.05770 183.4
[M+Na-2H]- 212.01852 139.5
[M]+ 191.04330 142.3
[M]- 191.04440 142.3
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.