CID 28287671

2-(phenoxymethyl)thiazole-4-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₉NO₂S

SMILES

C1=CC=C(C=C1)OCC2=NC(=CS2)C=O

InChI

InChI=1S/C11H9NO2S/c13-6-9-8-15-11(12-9)7-14-10-4-2-1-3-5-10/h1-6,8H,7H2

InChIKey

LWFBPIWCVMQAMZ-UHFFFAOYSA-N

Compound name

2-(phenoxymethyl)-1,3-thiazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 219.0354 Da
Monoisotopic Mass: 2.2
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	146.4
[M+Na]+	242.02462	159.7
[M+NH4]+	237.06922	155.3
[M+K]+	257.99856	152.2
[M-H]-	218.02812	149.8
[M+Na-2H]-	240.01007	154.3
[M]+	219.03485	149.7
[M]-	219.03595	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe