CID 1127

Tetrahydrothiophene

Structural Information

Molecular Formula

SMILES

C1CCSC1

InChI

InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2

InChIKey

RAOIDOHSFRTOEL-UHFFFAOYSA-N

Compound name

thiolane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 165
References: 127737
Patents: 88.03467 Da
Monoisotopic Mass: 1.4
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]+	89.041946	115.7
[M+Na]+	111.02389	125.9
[M+NH4]+	106.06849	126.6
[M+K]+	126.99783	119.2
[M-H]-	87.027394	118.2
[M+Na-2H]-	109.00934	121.1
[M]+	88.034121	118.2
[M]-	88.035219	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe