CID 29558956

(2-{[(4-methylpiperidin-1-yl)sulfonyl]methyl}phenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CC1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2CN
InChI
InChI=1S/C14H22N2O2S/c1-12-6-8-16(9-7-12)19(17,18)11-14-5-3-2-4-13(14)10-15/h2-5,12H,6-11,15H2,1H3
InChIKey
ZZJJDHFECFIIRT-UHFFFAOYSA-N
Compound name
[2-[(4-methylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1402 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 164.9
[M+Na]+ 305.12942 170.3
[M-H]- 281.13292 168.9
[M+NH4]+ 300.17402 179.3
[M+K]+ 321.10336 165.8
[M+H-H2O]+ 265.13746 157.2
[M+HCOO]- 327.13840 178.1
[M+CH3COO]- 341.15405 198.9
[M+Na-2H]- 303.11487 166.1
[M]+ 282.13965 162.5
[M]- 282.14075 162.5
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.