CID 479458

N-methylsulfonyloctane-1-sulfonamide

Structural Information

Molecular Formula

C₉H₂₁NO₄S₂

SMILES

CCCCCCCCS(=O)(=O)NS(=O)(=O)C

InChI

InChI=1S/C9H21NO4S2/c1-3-4-5-6-7-8-9-16(13,14)10-15(2,11)12/h10H,3-9H2,1-2H3

InChIKey

MKBIFYHAAFYANP-UHFFFAOYSA-N

Compound name

N-methylsulfonyloctane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 271.0912 Da
Monoisotopic Mass: 2.3
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]+	272.09848	160.8
[M+Na]+	294.08042	166.4
[M-H]-	270.08392	160.0
[M+NH4]+	289.12502	176.9
[M+K]+	310.05436	162.2
[M+H-H2O]+	254.08846	154.7
[M+HCOO]-	316.08940	171.6
[M+CH3COO]-	330.10505	194.8
[M+Na-2H]-	292.06587	162.9
[M]+	271.09065	166.4
[M]-	271.09175	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe