CID 16643187

927979-06-4

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C13H20N2O2S/c1-11-3-2-8-15(10-11)18(16,17)13-6-4-12(9-14)5-7-13/h4-7,11H,2-3,8-10,14H2,1H3
InChIKey
MNZZDOSKBMCICP-UHFFFAOYSA-N
Compound name
[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.12454 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 160.6
[M+Na]+ 291.11376 166.5
[M-H]- 267.11726 164.9
[M+NH4]+ 286.15836 175.5
[M+K]+ 307.08770 162.2
[M+H-H2O]+ 251.12180 153.1
[M+HCOO]- 313.12274 174.2
[M+CH3COO]- 327.13839 195.9
[M+Na-2H]- 289.09921 162.3
[M]+ 268.12399 157.8
[M]- 268.12509 157.8
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.