CID 526177

26486-13-5

Structural Information

Molecular Formula

SMILES

CC1=C(CCO1)S

InChI

InChI=1S/C5H8OS/c1-4-5(7)2-3-6-4/h7H,2-3H2,1H3

InChIKey

IHRSRTFITLMUQC-UHFFFAOYSA-N

Compound name

5-methyl-2,3-dihydrofuran-4-thiol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 115
Patents: 116.02959 Da
Monoisotopic Mass: 1.0
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]+	117.036866	119.1
[M+Na]+	139.018808	128.6
[M-H]-	115.022314	124.2
[M+NH4]+	134.063413	143.3
[M+K]+	154.992748	128.9
[M+H-H2O]+	99.026850	115.1
[M+HCOO]-	161.027791	138.4
[M+CH3COO]-	175.043441	166.7
[M+Na-2H]-	137.004256	122.9
[M]+	116.02904142	121.5
[M]-	116.03013858	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe