CID 2326306

24372-49-4

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

C1COCCN1C2=CC=C(S2)C=O

InChI

InChI=1S/C9H11NO2S/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2

InChIKey

MWCGENRKAMIZLZ-UHFFFAOYSA-N

Compound name

5-morpholin-4-ylthiophene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 197.05106 Da
Monoisotopic Mass: 1.5
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]+	198.05834	141.2
[M+Na]+	220.04028	152.5
[M+NH4]+	215.08488	150.2
[M+K]+	236.01422	146.4
[M-H]-	196.04378	145.4
[M+Na-2H]-	218.02573	146.5
[M]+	197.05051	144.4
[M]-	197.05161	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe