CID 63906718

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

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CCOC(=O)CC1=NC(=CS1)C2CC2
InChI
InChI=1S/C10H13NO2S/c1-2-13-10(12)5-9-11-8(6-14-9)7-3-4-7/h6-7H,2-5H2,1H3
InChIKey
IYQXYSFQURNDKN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.0667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 144.3
[M+Na]+ 234.05592 154.1
[M-H]- 210.05942 150.8
[M+NH4]+ 229.10052 159.4
[M+K]+ 250.02986 150.9
[M+H-H2O]+ 194.06396 137.5
[M+HCOO]- 256.06490 162.9
[M+CH3COO]- 270.08055 187.0
[M+Na-2H]- 232.04137 145.0
[M]+ 211.06615 150.8
[M]- 211.06725 150.8
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

patents stripe