CID 21889825

669008-28-0

Structural Information

Molecular Formula

C₆H₁₁NO₂S

SMILES

C=CCC1(CC1)S(=O)(=O)N

InChI

InChI=1S/C6H11NO2S/c1-2-3-6(4-5-6)10(7,8)9/h2H,1,3-5H2,(H2,7,8,9)

InChIKey

JQLQQPTXRBSHPF-UHFFFAOYSA-N

Compound name

1-prop-2-enylcyclopropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 161.05106 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]+	162.058336	130.1
[M+Na]+	184.040278	139.7
[M-H]-	160.043784	134.4
[M+NH4]+	179.084883	147.7
[M+K]+	200.014218	136.9
[M+H-H2O]+	144.048320	125.8
[M+HCOO]-	206.049261	148.2
[M+CH3COO]-	220.064911	178.3
[M+Na-2H]-	182.025726	135.7
[M]+	161.05051142	133.5
[M]-	161.05160858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe