CID 165779863

N-ethyl-1-formylcyclopropane-1-sulfonamide

Structural Information

Molecular Formula

C₆H₁₁NO₃S

SMILES

CCNS(=O)(=O)C1(CC1)C=O

InChI

InChI=1S/C6H11NO3S/c1-2-7-11(9,10)6(5-8)3-4-6/h5,7H,2-4H2,1H3

InChIKey

BCWXFOYMEBMRQM-UHFFFAOYSA-N

Compound name

N-ethyl-1-formylcyclopropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.04596 Da
Monoisotopic Mass: -0.4
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]+	178.053236	134.2
[M+Na]+	200.035178	143.6
[M-H]-	176.038684	139.0
[M+NH4]+	195.079783	151.3
[M+K]+	216.009118	141.5
[M+H-H2O]+	160.043220	129.7
[M+HCOO]-	222.044161	153.1
[M+CH3COO]-	236.059811	180.9
[M+Na-2H]-	198.020626	140.8
[M]+	177.04541142	140.0
[M]-	177.04650858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.