CID 485054

2-[1-(tert-butoxycarbonylamino)ethyl]oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC(C1=NC(=CO1)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H16N2O5/c1-6(12-10(16)18-11(2,3)4)8-13-7(5-17-8)9(14)15/h5-6H,1-4H3,(H,12,16)(H,14,15)
InChIKey
MOWRGFGIKJOEGX-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

256.10593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 157.1
[M+Na]+ 279.09515 163.1
[M-H]- 255.09865 159.1
[M+NH4]+ 274.13975 172.2
[M+K]+ 295.06909 164.4
[M+H-H2O]+ 239.10319 151.0
[M+HCOO]- 301.10413 176.0
[M+CH3COO]- 315.11978 193.3
[M+Na-2H]- 277.08060 159.7
[M]+ 256.10538 160.4
[M]- 256.10648 160.4
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