CID 62807602

4-(benzenesulfonyl)cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H17NO2S
SMILES
C1CC(CCC1N)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H17NO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-5,10,12H,6-9,13H2
InChIKey
LSDWCISYDLHLGW-UHFFFAOYSA-N
Compound name
4-(benzenesulfonyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.098 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.105276 151.8
[M+Na]+ 262.087218 157.3
[M-H]- 238.090724 157.3
[M+NH4]+ 257.131823 169.0
[M+K]+ 278.061158 153.4
[M+H-H2O]+ 222.095260 145.2
[M+HCOO]- 284.096201 167.0
[M+CH3COO]- 298.111851 189.1
[M+Na-2H]- 260.072666 154.6
[M]+ 239.09745142 147.9
[M]- 239.09854858 147.9
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.