CID 99990468

1-(ethanesulfonyl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula

C₆H₁₀O₃S

SMILES

CCS(=O)(=O)C1(CC1)C=O

InChI

InChI=1S/C6H10O3S/c1-2-10(8,9)6(5-7)3-4-6/h5H,2-4H2,1H3

InChIKey

GADVIYGGXODNPL-UHFFFAOYSA-N

Compound name

1-ethylsulfonylcyclopropane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.03506 Da
Monoisotopic Mass: -0.2
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]+	163.042336	131.5
[M+Na]+	185.024278	141.8
[M-H]-	161.027784	136.5
[M+NH4]+	180.068883	149.6
[M+K]+	200.998218	140.1
[M+H-H2O]+	145.032320	127.3
[M+HCOO]-	207.033261	149.5
[M+CH3COO]-	221.048911	176.3
[M+Na-2H]-	183.009726	137.6
[M]+	162.03451142	138.0
[M]-	162.03560858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.