CID 117036614

2059912-10-4

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1C(CC1S(=O)(=O)C2=CC=CC=C2)N
InChI
InChI=1S/C10H13NO2S/c11-8-6-10(7-8)14(12,13)9-4-2-1-3-5-9/h1-5,8,10H,6-7,11H2
InChIKey
ITUCTMFVVYNFHJ-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 141.1
[M+Na]+ 234.05592 147.2
[M+NH4]+ 229.10052 145.4
[M+K]+ 250.02986 142.5
[M-H]- 210.05942 141.2
[M+Na-2H]- 232.04137 145.2
[M]+ 211.06615 141.1
[M]- 211.06725 141.1
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

No patent data available for this compound.