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

5
Annotation Hits: 0
References: 68
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]+	159.04743	131.7
[M+Na]+	181.02937	140.2
[M-H]-	157.03287	136.6
[M+NH4]+	176.07397	154.0
[M+K]+	197.00331	140.3
[M+H-H2O]+	141.03741	127.2
[M+HCOO]-	203.03835	149.8
[M+CH3COO]-	217.05400	174.0
[M+Na-2H]-	179.01482	133.4
[M]+	158.03960	134.9
[M]-	158.04070	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe