CID 21719919

Ethyl isopropyl sulfone

Structural Information

Molecular Formula

C₅H₁₂O₂S

SMILES

CCS(=O)(=O)C(C)C

InChI

InChI=1S/C5H12O2S/c1-4-8(6,7)5(2)3/h5H,4H2,1-3H3

InChIKey

RDKKQZIFDSEMNU-UHFFFAOYSA-N

Compound name

2-ethylsulfonylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3016
Patents: 136.0558 Da
Monoisotopic Mass: 0.8
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]+	137.06308	125.3
[M+Na]+	159.04502	133.6
[M-H]-	135.04852	126.3
[M+NH4]+	154.08962	147.9
[M+K]+	175.01896	133.1
[M+H-H2O]+	119.05306	121.3
[M+HCOO]-	181.05400	142.3
[M+CH3COO]-	195.06965	171.4
[M+Na-2H]-	157.03047	128.9
[M]+	136.05525	128.7
[M]-	136.05635	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe