CID 61058984

1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CC1=C(SC(=N1)CCOC)C(=O)C
InChI
InChI=1S/C9H13NO2S/c1-6-9(7(2)11)13-8(10-6)4-5-12-3/h4-5H2,1-3H3
InChIKey
WBVOJSFFNUEFDW-UHFFFAOYSA-N
Compound name
1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 142.2
[M+Na]+ 222.05592 151.7
[M-H]- 198.05942 145.4
[M+NH4]+ 217.10052 163.1
[M+K]+ 238.02986 149.9
[M+H-H2O]+ 182.06396 136.5
[M+HCOO]- 244.06490 160.6
[M+CH3COO]- 258.08055 184.1
[M+Na-2H]- 220.04137 142.2
[M]+ 199.06615 148.0
[M]- 199.06725 148.0
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.