CID 103413

65573-06-0

Structural Information

Molecular Formula
C8H14O3S2
SMILES
CCOC(=O)SC(=S)OCC(C)C
InChI
InChI=1S/C8H14O3S2/c1-4-10-7(9)13-8(12)11-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey
BKXGELUBLYVYQD-UHFFFAOYSA-N
Compound name
ethyl 2-methylpropoxycarbothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

222.03844 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04572 150.1
[M+Na]+ 245.02766 157.3
[M+NH4]+ 240.07226 157.0
[M+K]+ 261.00160 150.0
[M-H]- 221.03116 148.3
[M+Na-2H]- 243.01311 150.1
[M]+ 222.03789 151.2
[M]- 222.03899 151.2
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

patents stripe