CID 22350419

2-{[(tert-butoxy)carbonyl](methyl)amino}-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(C)(C)OC(=O)N(C)C1=NC=C(S1)C(=O)O
InChI
InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12(4)8-11-5-6(17-8)7(13)14/h5H,1-4H3,(H,13,14)
InChIKey
ZBXPFPUNWAKYKT-UHFFFAOYSA-N
Compound name
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

258.0674 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 158.6
[M+Na]+ 281.05662 165.3
[M+NH4]+ 276.10122 163.8
[M+K]+ 297.03056 163.7
[M-H]- 257.06012 156.8
[M+Na-2H]- 279.04207 160.2
[M]+ 258.06685 159.0
[M]- 258.06795 159.0
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