CID 18968246

Thiolane-3-carbaldehyde

Structural Information

Molecular Formula

SMILES

C1CSCC1C=O

InChI

InChI=1S/C5H8OS/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2

InChIKey

XZIKOTWVTCVFDP-UHFFFAOYSA-N

Compound name

thiolane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 116.02959 Da
Monoisotopic Mass: 0.5
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]+	117.03687	122.9
[M+Na]+	139.01881	132.8
[M+NH4]+	134.06341	132.8
[M+K]+	154.99275	126.6
[M-H]-	115.02231	124.7
[M+Na-2H]-	137.00426	127.3
[M]+	116.02904	125.1
[M]-	116.03014	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe