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]+ 212.073976 140.0
[M+Na]+ 234.055918 145.4
[M-H]- 210.059424 145.8
[M+NH4]+ 229.100523 151.8
[M+K]+ 250.029858 145.4
[M+H-H2O]+ 194.063960 127.7
[M+HCOO]- 256.064901 156.6
[M+CH3COO]- 270.080551 187.7
[M+Na-2H]- 232.041366 143.4
[M]+ 211.06615142 147.5
[M]- 211.06724858 147.5
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.