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]+ 269.131816 160.6
[M+Na]+ 291.113758 166.5
[M-H]- 267.117264 164.9
[M+NH4]+ 286.158363 175.5
[M+K]+ 307.087698 162.2
[M+H-H2O]+ 251.121800 153.1
[M+HCOO]- 313.122741 174.2
[M+CH3COO]- 327.138391 195.9
[M+Na-2H]- 289.099206 162.3
[M]+ 268.12399142 157.8
[M]- 268.12508858 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.