CID 145266

Thiirane, (ethylthiomethyl)-

Structural Information

Molecular Formula

C₅H₁₀S₂

SMILES

CCSCC1CS1

InChI

InChI=1S/C5H10S2/c1-2-6-3-5-4-7-5/h5H,2-4H2,1H3

InChIKey

BTEBOOYKWHVXIP-UHFFFAOYSA-N

Compound name

2-(ethylsulfanylmethyl)thiirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 134.0224 Da
Monoisotopic Mass: 1.7
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]+	135.02968	117.1
[M+Na]+	157.01162	126.2
[M-H]-	133.01512	121.6
[M+NH4]+	152.05622	134.8
[M+K]+	172.98556	123.4
[M+H-H2O]+	117.01966	111.0
[M+HCOO]-	179.02060	130.7
[M+CH3COO]-	193.03625	175.6
[M+Na-2H]-	154.99707	119.6
[M]+	134.02185	121.6
[M]-	134.02295	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe