CID 1502051

2-amino-1,3-thiazole-4-carboxylic acid, n-boc protected

Structural Information

Molecular Formula
C9H12N2O4S
SMILES
CC(C)(C)OC(=O)NC1=NC(=CS1)C(=O)O
InChI
InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-5(4-16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChIKey
PIWSRJPUYPNQJE-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

244.05177 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05905 154.1
[M+Na]+ 267.04099 161.2
[M-H]- 243.04449 155.6
[M+NH4]+ 262.08559 171.5
[M+K]+ 283.01493 159.8
[M+H-H2O]+ 227.04903 148.2
[M+HCOO]- 289.04997 169.9
[M+CH3COO]- 303.06562 187.8
[M+Na-2H]- 265.02644 155.0
[M]+ 244.05122 157.4
[M]- 244.05232 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe