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
3
Annotation Hits

23
References

9120
Patents

290.06064 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.067916 160.6
[M+Na]+ 313.049858 165.2
[M-H]- 289.053364 158.3
[M+NH4]+ 308.094463 174.5
[M+K]+ 329.023798 161.6
[M+H-H2O]+ 273.057900 153.7
[M+HCOO]- 335.058841 172.0
[M+CH3COO]- 349.074491 197.1
[M+Na-2H]- 311.035306 163.2
[M]+ 290.06009142 165.2
[M]- 290.06118858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe