CID 3023274

4-thiazoleethanol, 5-methyl-, propanoate (ester)

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CCC(=O)OCCC1=C(SC=N1)C
InChI
InChI=1S/C9H13NO2S/c1-3-9(11)12-5-4-8-7(2)13-6-10-8/h6H,3-5H2,1-2H3
InChIKey
HEVNJCHQOIKSBD-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3-thiazol-4-yl)ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 143.3
[M+Na]+ 222.05592 151.9
[M-H]- 198.05942 146.1
[M+NH4]+ 217.10052 164.0
[M+K]+ 238.02986 150.2
[M+H-H2O]+ 182.06396 137.2
[M+HCOO]- 244.06490 161.7
[M+CH3COO]- 258.08055 182.3
[M+Na-2H]- 220.04137 143.8
[M]+ 199.06615 148.6
[M]- 199.06725 148.6
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.