CID 20831821

26486-14-6

Structural Information

Molecular Formula

C₇H₁₀O₂S

SMILES

CC1=C(CCO1)SC(=O)C

InChI

InChI=1S/C7H10O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H2,1-2H3

InChIKey

YDYAMYYOQBGPRX-UHFFFAOYSA-N

Compound name

S-(5-methyl-2,3-dihydrofuran-4-yl) ethanethioate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 60
Patents: 158.04015 Da
Monoisotopic Mass: 1.2
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]+	159.047426	131.7
[M+Na]+	181.029368	140.2
[M-H]-	157.032874	136.6
[M+NH4]+	176.073973	154.0
[M+K]+	197.003308	140.3
[M+H-H2O]+	141.037410	127.2
[M+HCOO]-	203.038351	149.8
[M+CH3COO]-	217.054001	174.0
[M+Na-2H]-	179.014816	133.4
[M]+	158.03960142	134.9
[M]-	158.04069858	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe