CID 4554836

174006-71-4

Structural Information

Molecular Formula
C11H9NO2S
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)C=O
InChI
InChI=1S/C11H9NO2S/c1-14-10-4-2-8(3-5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
InChIKey
YZUAAQCBGVFCRK-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

219.0354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.