CID 63114610

(ethenesulfonyl)cyclopentane

Structural Information

Molecular Formula

C₇H₁₂O₂S

SMILES

C=CS(=O)(=O)C1CCCC1

InChI

InChI=1S/C7H12O2S/c1-2-10(8,9)7-5-3-4-6-7/h2,7H,1,3-6H2

InChIKey

SMRYYUAJYNSCOX-UHFFFAOYSA-N

Compound name

ethenylsulfonylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 160.0558 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]+	161.063076	134.1
[M+Na]+	183.045018	141.7
[M-H]-	159.048524	137.7
[M+NH4]+	178.089623	157.1
[M+K]+	199.018958	139.7
[M+H-H2O]+	143.053060	129.7
[M+HCOO]-	205.054001	151.3
[M+CH3COO]-	219.069651	171.8
[M+Na-2H]-	181.030466	136.3
[M]+	160.05525142	133.8
[M]-	160.05634858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe