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
2
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]+ 200.073976 143.3
[M+Na]+ 222.055918 151.9
[M-H]- 198.059424 146.1
[M+NH4]+ 217.100523 164.0
[M+K]+ 238.029858 150.2
[M+H-H2O]+ 182.063960 137.2
[M+HCOO]- 244.064901 161.7
[M+CH3COO]- 258.080551 182.3
[M+Na-2H]- 220.041366 143.8
[M]+ 199.06615142 148.6
[M]- 199.06724858 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.