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]+ 214.089626 148.7
[M+Na]+ 236.071568 157.4
[M-H]- 212.075074 151.7
[M+NH4]+ 231.116173 169.0
[M+K]+ 252.045508 155.9
[M+H-H2O]+ 196.079610 143.2
[M+HCOO]- 258.080551 165.3
[M+CH3COO]- 272.096201 184.9
[M+Na-2H]- 234.057016 149.6
[M]+ 213.08180142 153.8
[M]- 213.08289858 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