CID 28063354

915923-79-4

Structural Information

Molecular Formula

C₁₁H₉NO₂S

SMILES

COC1=CC=CC(=C1)C2=NC=C(S2)C=O

InChI

InChI=1S/C11H9NO2S/c1-14-9-4-2-3-8(5-9)11-12-6-10(7-13)15-11/h2-7H,1H3

InChIKey

YVAFASMGYFSGPR-UHFFFAOYSA-N

Compound name

2-(3-methoxyphenyl)-1,3-thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.0354 Da
Monoisotopic Mass: 2.4
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]+	220.04268	145.0
[M+Na]+	242.02462	155.6
[M-H]-	218.02812	151.6
[M+NH4]+	237.06922	164.9
[M+K]+	257.99856	152.2
[M+H-H2O]+	202.03266	138.4
[M+HCOO]-	264.03360	165.6
[M+CH3COO]-	278.04925	184.8
[M+Na-2H]-	240.01007	147.5
[M]+	219.03485	149.7
[M]-	219.03595	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe