CID 60675946

1249272-93-2

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CCOC(=O)CC1=NC(=C(S1)C)C
InChI
InChI=1S/C9H13NO2S/c1-4-12-9(11)5-8-10-6(2)7(3)13-8/h4-5H2,1-3H3
InChIKey
XUWPJYUWXVDIRE-UHFFFAOYSA-N
Compound name
ethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.073976 142.4
[M+Na]+ 222.055918 152.0
[M-H]- 198.059424 145.6
[M+NH4]+ 217.100523 163.4
[M+K]+ 238.029858 150.3
[M+H-H2O]+ 182.063960 136.7
[M+HCOO]- 244.064901 160.9
[M+CH3COO]- 258.080551 183.4
[M+Na-2H]- 220.041366 142.4
[M]+ 199.06615142 148.2
[M]- 199.06724858 148.2
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.