CID 474286

Methyl thiiran-2-ylmethylsulfanylformate

Structural Information

Molecular Formula

C₅H₈O₂S₂

SMILES

COC(=O)SCC1CS1

InChI

InChI=1S/C5H8O2S2/c1-7-5(6)9-3-4-2-8-4/h4H,2-3H2,1H3

InChIKey

ZLJZPLBGGPEAGA-UHFFFAOYSA-N

Compound name

methyl thiiran-2-ylmethylsulfanylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.99657 Da
Monoisotopic Mass: 1.5
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]+	165.00385	125.9
[M+Na]+	186.98579	134.7
[M-H]-	162.98929	130.3
[M+NH4]+	182.03039	142.2
[M+K]+	202.95973	132.1
[M+H-H2O]+	146.99383	119.7
[M+HCOO]-	208.99477	139.0
[M+CH3COO]-	223.01042	177.7
[M+Na-2H]-	184.97124	127.4
[M]+	163.99602	131.8
[M]-	163.99712	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.