CID 357957

6-(benzenesulfonyl)-6-azabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C11H13NO2S
SMILES
C1CC2C(C1)N2S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C11H13NO2S/c13-15(14,9-5-2-1-3-6-9)12-10-7-4-8-11(10)12/h1-3,5-6,10-11H,4,7-8H2
InChIKey
ZKPXYAMAGDPPHO-UHFFFAOYSA-N
Compound name
6-(benzenesulfonyl)-6-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.0667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07398 148.0
[M+Na]+ 246.05592 158.7
[M-H]- 222.05942 155.1
[M+NH4]+ 241.10052 163.5
[M+K]+ 262.02986 154.5
[M+H-H2O]+ 206.06396 142.1
[M+HCOO]- 268.06490 164.4
[M+CH3COO]- 282.08055 187.2
[M+Na-2H]- 244.04137 152.0
[M]+ 223.06615 152.0
[M]- 223.06725 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe