CID 20846330

Methyl 5-(2-hydroxyethyl)thiazol-4-acetate

Structural Information

Molecular Formula
C8H11NO3S
SMILES
COC(=O)CC1=C(SC=N1)CCO
InChI
InChI=1S/C8H11NO3S/c1-12-8(11)4-6-7(2-3-10)13-5-9-6/h5,10H,2-4H2,1H3
InChIKey
UBLOSGXPWGPXLC-UHFFFAOYSA-N
Compound name
methyl 2-[5-(2-hydroxyethyl)-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.04596 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.053236 142.4
[M+Na]+ 224.035178 150.8
[M-H]- 200.038684 143.9
[M+NH4]+ 219.079783 162.1
[M+K]+ 240.009118 148.9
[M+H-H2O]+ 184.043220 136.6
[M+HCOO]- 246.044161 159.9
[M+CH3COO]- 260.059811 178.7
[M+Na-2H]- 222.020626 143.1
[M]+ 201.04541142 146.8
[M]- 201.04650858 146.8
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.