CID 9251

Thietane

Structural Information

Molecular Formula

SMILES

C1CSC1

InChI

InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2

InChIKey

XSROQCDVUIHRSI-UHFFFAOYSA-N

Compound name

thietane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 26969
Patents: 74.01902 Da
Monoisotopic Mass: 1.0
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]+	75.026296	103.1
[M+Na]+	97.008238	109.8
[M+NH4]+	92.052843	110.0
[M+K]+	112.98218	104.5
[M-H]-	73.011744	103.0
[M+Na-2H]-	94.993686	107.4
[M]+	74.018471	103.3
[M]-	74.019569	103.3

Literature stripe

literature stripe

Patent stripe

patents stripe