CID 24263963

1-(benzenesulfonyl)butan-2-amine

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CCC(CS(=O)(=O)C1=CC=CC=C1)N
InChI
InChI=1S/C10H15NO2S/c1-2-9(11)8-14(12,13)10-6-4-3-5-7-10/h3-7,9H,2,8,11H2,1H3
InChIKey
CZSHVGQOIADRBR-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.08235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 146.7
[M+Na]+ 236.07157 156.6
[M+NH4]+ 231.11617 154.3
[M+K]+ 252.04551 149.8
[M-H]- 212.07507 147.9
[M+Na-2H]- 234.05702 151.9
[M]+ 213.08180 148.7
[M]- 213.08290 148.7
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.