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 157.9
[M+Na]+ 281.05662 164.7
[M-H]- 257.06012 160.8
[M+NH4]+ 276.10122 175.5
[M+K]+ 297.03056 164.6
[M+H-H2O]+ 241.06466 151.8
[M+HCOO]- 303.06560 173.9
[M+CH3COO]- 317.08125 194.1
[M+Na-2H]- 279.04207 157.8
[M]+ 258.06685 162.9
[M]- 258.06795 162.9
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