CID 100606

Hepsulfam

Structural Information

Molecular Formula

C₇H₁₈N₂O₆S₂

SMILES

C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N

InChI

InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)

InChIKey

GOJJWDOZNKBUSR-UHFFFAOYSA-N

Compound name

7-sulfamoyloxyheptyl sulfamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 23
References: 10832
Patents: 290.06064 Da
Monoisotopic Mass: -0.3
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]+	291.06792	164.1
[M+Na]+	313.04986	167.1
[M+NH4]+	308.09446	167.2
[M+K]+	329.02380	162.7
[M-H]-	289.05336	159.5
[M+Na-2H]-	311.03531	162.3
[M]+	290.06009	163.4
[M]-	290.06119	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe