CID 59127683

Hept-6-ene-1-sulfonamide

Structural Information

Molecular Formula

C₇H₁₅NO₂S

SMILES

C=CCCCCCS(=O)(=O)N

InChI

InChI=1S/C7H15NO2S/c1-2-3-4-5-6-7-11(8,9)10/h2H,1,3-7H2,(H2,8,9,10)

InChIKey

PJPQEMQFDCNBIG-UHFFFAOYSA-N

Compound name

hept-6-ene-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 177.08235 Da
Monoisotopic Mass: 1.3
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]+	178.089626	138.1
[M+Na]+	200.071568	145.1
[M-H]-	176.075074	137.8
[M+NH4]+	195.116173	158.2
[M+K]+	216.045508	142.3
[M+H-H2O]+	160.079610	133.0
[M+HCOO]-	222.080551	155.8
[M+CH3COO]-	236.096201	179.8
[M+Na-2H]-	198.057016	141.0
[M]+	177.08180142	140.1
[M]-	177.08289858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe