CID 4778225

1-tosylpiperidin-4-amine

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N
InChI
InChI=1S/C12H18N2O2S/c1-10-2-4-12(5-3-10)17(15,16)14-8-6-11(13)7-9-14/h2-5,11H,6-9,13H2,1H3
InChIKey
DSHYCTJDCZLVLE-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

254.1089 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 156.0
[M+Na]+ 277.09812 166.6
[M+NH4]+ 272.14272 163.6
[M+K]+ 293.07206 159.4
[M-H]- 253.10162 158.9
[M+Na-2H]- 275.08357 162.0
[M]+ 254.10835 158.6
[M]- 254.10945 158.6
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