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 147.9
[M+Na]+ 245.02766 153.6
[M-H]- 221.03116 147.8
[M+NH4]+ 240.07226 166.6
[M+K]+ 261.00160 151.6
[M+H-H2O]+ 205.03570 142.3
[M+HCOO]- 267.03664 157.4
[M+CH3COO]- 281.05229 185.8
[M+Na-2H]- 243.01311 145.1
[M]+ 222.03789 153.2
[M]- 222.03899 153.2
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