CID 2763540

207290-72-0

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

C1CN(CCC1O)C2=CC=C(S2)C=O

InChI

InChI=1S/C10H13NO2S/c12-7-9-1-2-10(14-9)11-5-3-8(13)4-6-11/h1-2,7-8,13H,3-6H2

InChIKey

QGNLQHONMNFZJP-UHFFFAOYSA-N

Compound name

5-(4-hydroxypiperidin-1-yl)thiophene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 211.0667 Da
Monoisotopic Mass: 1.7
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]+	212.07398	146.0
[M+Na]+	234.05592	156.5
[M+NH4]+	229.10052	154.6
[M+K]+	250.02986	150.4
[M-H]-	210.05942	148.4
[M+Na-2H]-	232.04137	150.7
[M]+	211.06615	148.4
[M]-	211.06725	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe