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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.147476	164.9
[M+Na]+	305.129418	170.3
[M-H]-	281.132924	168.9
[M+NH4]+	300.174023	179.3
[M+K]+	321.103358	165.8
[M+H-H2O]+	265.137460	157.2
[M+HCOO]-	327.138401	178.1
[M+CH3COO]-	341.154051	198.9
[M+Na-2H]-	303.114866	166.1
[M]+	282.13965142	162.5
[M]-	282.14074858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.