CID 138987761

5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole

Structural Information

Molecular Formula
C8H13NO2S
SMILES
CC1=NC=C(S1)CC(OC)OC
InChI
InChI=1S/C8H13NO2S/c1-6-9-5-7(12-6)4-8(10-2)11-3/h5,8H,4H2,1-3H3
InChIKey
SUUMPMRRWQEWNB-UHFFFAOYSA-N
Compound name
5-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07398 140.5
[M+Na]+ 210.05592 150.9
[M+NH4]+ 205.10052 148.8
[M+K]+ 226.02986 145.5
[M-H]- 186.05942 141.2
[M+Na-2H]- 208.04137 144.6
[M]+ 187.06615 142.5
[M]- 187.06725 142.5
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

No patent data available for this compound.