CID 45792271

Tert-butyl 2-(4-methyl-1,3-thiazol-2-yl)acetate

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC1=CSC(=N1)CC(=O)OC(C)(C)C
InChI
InChI=1S/C10H15NO2S/c1-7-6-14-8(11-7)5-9(12)13-10(2,3)4/h6H,5H2,1-4H3
InChIKey
MLQVUFYQYRTZBT-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

213.08235 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 148.7
[M+Na]+ 236.07157 157.4
[M-H]- 212.07507 151.7
[M+NH4]+ 231.11617 169.0
[M+K]+ 252.04551 155.9
[M+H-H2O]+ 196.07961 143.2
[M+HCOO]- 258.08055 165.3
[M+CH3COO]- 272.09620 184.9
[M+Na-2H]- 234.05702 149.6
[M]+ 213.08180 153.8
[M]- 213.08290 153.8
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