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 139.4
[M+Na]+ 210.05592 148.1
[M-H]- 186.05942 142.3
[M+NH4]+ 205.10052 160.6
[M+K]+ 226.02986 147.3
[M+H-H2O]+ 170.06396 133.4
[M+HCOO]- 232.06490 158.0
[M+CH3COO]- 246.08055 180.9
[M+Na-2H]- 208.04137 140.4
[M]+ 187.06615 145.1
[M]- 187.06725 145.1
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.