CID 45792128

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

Structural Information

Molecular Formula
C12H11NO2S
SMILES
CC1=CC=C(C=C1)OCC2=NC(=CS2)C=O
InChI
InChI=1S/C12H11NO2S/c1-9-2-4-11(5-3-9)15-7-12-13-10(6-14)8-16-12/h2-6,8H,7H2,1H3
InChIKey
BLJUMITVSFOABQ-UHFFFAOYSA-N
Compound name
2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.05106 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.058336 149.5
[M+Na]+ 256.040278 159.6
[M-H]- 232.043784 155.9
[M+NH4]+ 251.084883 168.8
[M+K]+ 272.014218 156.0
[M+H-H2O]+ 216.048320 142.7
[M+HCOO]- 278.049261 169.8
[M+CH3COO]- 292.064911 187.8
[M+Na-2H]- 254.025726 151.5
[M]+ 233.05051142 154.6
[M]- 233.05160858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.