CID 24261114

938458-94-7

Structural Information

Molecular Formula

C₁₀H₁₅NOS

SMILES

C1CNCCC1C(C2=CC=CS2)O

InChI

InChI=1S/C10H15NOS/c12-10(9-2-1-7-13-9)8-3-5-11-6-4-8/h1-2,7-8,10-12H,3-6H2

InChIKey

GBVBWWGQKWSZTG-UHFFFAOYSA-N

Compound name

piperidin-4-yl(thiophen-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.08743 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]+	198.09471	143.7
[M+Na]+	220.07665	148.3
[M-H]-	196.08015	145.7
[M+NH4]+	215.12125	162.2
[M+K]+	236.05059	144.7
[M+H-H2O]+	180.08469	137.4
[M+HCOO]-	242.08563	155.8
[M+CH3COO]-	256.10128	154.4
[M+Na-2H]-	218.06210	143.2
[M]+	197.08688	138.0
[M]-	197.08798	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe