CID 315652

Thiolan-3-ol

Structural Information

Molecular Formula

SMILES

C1CSCC1O

InChI

InChI=1S/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2

InChIKey

BJYXNFYVCZIXQC-UHFFFAOYSA-N

Compound name

thiolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 644
Patents: 104.02959 Da
Monoisotopic Mass: 0.4
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]+	105.03687	118.8
[M+Na]+	127.01881	126.2
[M-H]-	103.02231	121.3
[M+NH4]+	122.06341	143.5
[M+K]+	142.99275	125.2
[M+H-H2O]+	87.026850	114.6
[M+HCOO]-	149.02779	136.3
[M+CH3COO]-	163.04344	160.4
[M+Na-2H]-	125.00426	121.3
[M]+	104.02904	116.7
[M]-	104.03014	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe