CID 11182793

5-hexene-1-sulfonamide

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

C=CCCCCS(=O)(=O)N

InChI

InChI=1S/C6H13NO2S/c1-2-3-4-5-6-10(7,8)9/h2H,1,3-6H2,(H2,7,8,9)

InChIKey

LSFJITYQURUVQY-UHFFFAOYSA-N

Compound name

hex-5-ene-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 163.0667 Da
Monoisotopic Mass: 0.7
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]+	164.07398	133.7
[M+Na]+	186.05592	141.1
[M-H]-	162.05942	133.6
[M+NH4]+	181.10052	154.3
[M+K]+	202.02986	138.5
[M+H-H2O]+	146.06396	128.8
[M+HCOO]-	208.06490	151.7
[M+CH3COO]-	222.08055	176.7
[M+Na-2H]-	184.04137	137.0
[M]+	163.06615	135.3
[M]-	163.06725	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe