CID 474289

Butyl thiiran-2-ylmethylsulfanylformate

Structural Information

Molecular Formula
C8H14O2S2
SMILES
CCCCOC(=O)SCC1CS1
InChI
InChI=1S/C8H14O2S2/c1-2-3-4-10-8(9)12-6-7-5-11-7/h7H,2-6H2,1H3
InChIKey
MLLUWSQTWWWMTN-UHFFFAOYSA-N
Compound name
butyl thiiran-2-ylmethylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.04352 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05080 137.6
[M+Na]+ 229.03274 145.2
[M-H]- 205.03624 141.5
[M+NH4]+ 224.07734 152.4
[M+K]+ 245.00668 141.8
[M+H-H2O]+ 189.04078 130.9
[M+HCOO]- 251.04172 149.8
[M+CH3COO]- 265.05737 186.1
[M+Na-2H]- 227.01819 137.9
[M]+ 206.04297 144.5
[M]- 206.04407 144.5
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.