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

5
Patents

219.0354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.042676 145.3
[M+Na]+ 242.024618 155.0
[M-H]- 218.028124 151.5
[M+NH4]+ 237.069223 164.9
[M+K]+ 257.998558 151.6
[M+H-H2O]+ 202.032660 138.5
[M+HCOO]- 264.033601 166.0
[M+CH3COO]- 278.049251 183.7
[M+Na-2H]- 240.010066 148.5
[M]+ 219.03485142 149.6
[M]- 219.03594858 149.6
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

patents stripe