CID 12381433

Ethyl 2-(4,5-dihydro-1,3-thiazol-2-yl)acetate

Structural Information

Molecular Formula
C7H11NO2S
SMILES
CCOC(=O)CC1=NCCS1
InChI
InChI=1S/C7H11NO2S/c1-2-10-7(9)5-6-8-3-4-11-6/h2-5H2,1H3
InChIKey
PWAHWXUIHOTSMM-UHFFFAOYSA-N
Compound name
ethyl 2-(4,5-dihydro-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

173.05106 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.058336 136.7
[M+Na]+ 196.040278 144.3
[M-H]- 172.043784 139.1
[M+NH4]+ 191.084883 158.0
[M+K]+ 212.014218 143.4
[M+H-H2O]+ 156.048320 130.7
[M+HCOO]- 218.049261 154.3
[M+CH3COO]- 232.064911 175.6
[M+Na-2H]- 194.025726 137.9
[M]+ 173.05051142 139.5
[M]- 173.05160858 139.5
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