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

13
Patents

173.05106 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05834 136.7
[M+Na]+ 196.04028 144.3
[M-H]- 172.04378 139.1
[M+NH4]+ 191.08488 158.0
[M+K]+ 212.01422 143.4
[M+H-H2O]+ 156.04832 130.7
[M+HCOO]- 218.04926 154.3
[M+CH3COO]- 232.06491 175.6
[M+Na-2H]- 194.02573 137.9
[M]+ 173.05051 139.5
[M]- 173.05161 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