CID 165453260

5-(1-oxo-1lambda4-thiomorpholin-4-yl)pyridine-2-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂S

SMILES

C1CS(=O)CCN1C2=CN=C(C=C2)C=O

InChI

InChI=1S/C10H12N2O2S/c13-8-9-1-2-10(7-11-9)12-3-5-15(14)6-4-12/h1-2,7-8H,3-6H2

InChIKey

UEBJJEZZWSQJGA-UHFFFAOYSA-N

Compound name

5-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.06195 Da
Monoisotopic Mass: -0.4
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]+	225.069226	146.5
[M+Na]+	247.051168	154.5
[M-H]-	223.054674	150.4
[M+NH4]+	242.095773	162.5
[M+K]+	263.025108	150.7
[M+H-H2O]+	207.059210	138.6
[M+HCOO]-	269.060151	161.1
[M+CH3COO]-	283.075801	184.9
[M+Na-2H]-	245.036616	149.2
[M]+	224.06140142	145.4
[M]-	224.06249858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.