CID 14072

Propylene sulfide

Structural Information

Molecular Formula

SMILES

CC1CS1

InChI

InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3

InChIKey

MBNVSWHUJDDZRH-UHFFFAOYSA-N

Compound name

2-methylthiirane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 52
References: 4888
Patents: 74.01902 Da
Monoisotopic Mass: 1.1
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	106.9
[M+Na]+	97.008238	117.2
[M-H]-	73.011744	112.3
[M+NH4]+	92.052843	126.9
[M+K]+	112.98218	116.2
[M+H-H2O]+	57.016280	101.6
[M+HCOO]-	119.01722	126.8
[M+CH3COO]-	133.03287	164.9
[M+Na-2H]-	94.993686	112.8
[M]+	74.018471	110.2
[M]-	74.019569	110.2

Literature stripe

literature stripe

Patent stripe

patents stripe