CID 474264

Ethyl thiiran-2-ylmethylsulfanylformate

Structural Information

Molecular Formula

C₆H₁₀O₂S₂

SMILES

CCOC(=O)SCC1CS1

InChI

InChI=1S/C6H10O2S2/c1-2-8-6(7)10-4-5-3-9-5/h5H,2-4H2,1H3

InChIKey

RQEKOLTYPIFCPH-UHFFFAOYSA-N

Compound name

ethyl thiiran-2-ylmethylsulfanylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.01222 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.019496	129.8
[M+Na]+	201.001438	138.3
[M-H]-	177.004944	134.1
[M+NH4]+	196.046043	145.6
[M+K]+	216.975378	135.3
[M+H-H2O]+	161.009480	123.4
[M+HCOO]-	223.010421	142.6
[M+CH3COO]-	237.026071	180.5
[M+Na-2H]-	198.986886	130.9
[M]+	178.01167142	136.0
[M]-	178.01276858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.