CID 43831070

Tert-butyl 2-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetate

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CC(C)(C)OC(=O)CC1=NC(=O)CS1
InChI
InChI=1S/C9H13NO3S/c1-9(2,3)13-8(12)4-7-10-6(11)5-14-7/h4-5H2,1-3H3
InChIKey
NBKKBCXVNGZSLG-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-oxo-1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 148.1
[M+Na]+ 238.05083 156.2
[M-H]- 214.05433 150.8
[M+NH4]+ 233.09543 168.0
[M+K]+ 254.02477 155.1
[M+H-H2O]+ 198.05887 142.7
[M+HCOO]- 260.05981 164.0
[M+CH3COO]- 274.07546 183.4
[M+Na-2H]- 236.03628 148.8
[M]+ 215.06106 152.2
[M]- 215.06216 152.2
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.