CID 146586

5287-45-6

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

CC(=CCS)C

InChI

InChI=1S/C5H10S/c1-5(2)3-4-6/h3,6H,4H2,1-2H3

InChIKey

GYDPOKGOQFTYGW-UHFFFAOYSA-N

Compound name

3-methylbut-2-ene-1-thiol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 1185
Patents: 102.05032 Da
Monoisotopic Mass: 2.0
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]+	103.05760	121.2
[M+Na]+	125.03954	132.0
[M+NH4]+	120.08414	130.7
[M+K]+	141.01348	124.0
[M-H]-	101.04304	121.8
[M+Na-2H]-	123.02499	125.1
[M]+	102.04977	123.3
[M]-	102.05087	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe