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

8
Annotation Hits: 148
References: 139588
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	115.5
[M+Na]+	111.023888	122.5
[M-H]-	87.027394	119.0
[M+NH4]+	106.068493	141.2
[M+K]+	126.997828	122.1
[M+H-H2O]+	71.031930	110.9
[M+HCOO]-	133.032871	134.2
[M+CH3COO]-	147.048521	160.3
[M+Na-2H]-	109.009336	118.9
[M]+	88.03412142	113.4
[M]-	88.03521858	113.4

Literature stripe

literature stripe

Patent stripe

patents stripe