CID 574575

Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CCOC(=O)CC1=NC(=CS1)C
InChI
InChI=1S/C8H11NO2S/c1-3-11-8(10)4-7-9-6(2)5-12-7/h5H,3-4H2,1-2H3
InChIKey
QFXRMMDXBTYQKG-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

185.05106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.058336 138.7
[M+Na]+ 208.040278 147.8
[M-H]- 184.043784 141.7
[M+NH4]+ 203.084883 160.0
[M+K]+ 224.014218 146.4
[M+H-H2O]+ 168.048320 132.9
[M+HCOO]- 230.049261 157.5
[M+CH3COO]- 244.064911 179.3
[M+Na-2H]- 206.025726 139.8
[M]+ 185.05051142 143.7
[M]- 185.05160858 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe