CID 17221638

82378-85-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂S

SMILES

C1CN(CCC1N)CC2=CC=CS2

InChI

InChI=1S/C10H16N2S/c11-9-3-5-12(6-4-9)8-10-2-1-7-13-10/h1-2,7,9H,3-6,8,11H2

InChIKey

NQQVCDIEQDMPOD-UHFFFAOYSA-N

Compound name

1-(thiophen-2-ylmethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 196.10342 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]+	197.110696	142.5
[M+Na]+	219.092638	148.6
[M-H]-	195.096144	147.0
[M+NH4]+	214.137243	162.4
[M+K]+	235.066578	145.2
[M+H-H2O]+	179.100680	135.6
[M+HCOO]-	241.101621	158.8
[M+CH3COO]-	255.117271	154.5
[M+Na-2H]-	217.078086	142.8
[M]+	196.10287142	138.4
[M]-	196.10396858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe