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]+ 220.042676 145.0
[M+Na]+ 242.024618 155.6
[M-H]- 218.028124 151.6
[M+NH4]+ 237.069223 164.9
[M+K]+ 257.998558 152.2
[M+H-H2O]+ 202.032660 138.4
[M+HCOO]- 264.033601 165.6
[M+CH3COO]- 278.049251 184.8
[M+Na-2H]- 240.010066 147.5
[M]+ 219.03485142 149.7
[M]- 219.03594858 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.