CID 29947207

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

Structural Information

Molecular Formula
C9H12N2O5
SMILES
CC(C)(C)OC(=O)NC1=NC=C(O1)C(=O)O
InChI
InChI=1S/C9H12N2O5/c1-9(2,3)16-8(14)11-7-10-4-5(15-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
InChIKey
GRSZRACHQGSPBM-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

228.07462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.081896 147.9
[M+Na]+ 251.063838 155.0
[M-H]- 227.067344 150.1
[M+NH4]+ 246.108443 164.1
[M+K]+ 267.037778 156.1
[M+H-H2O]+ 211.071880 142.0
[M+HCOO]- 273.072821 168.4
[M+CH3COO]- 287.088471 186.4
[M+Na-2H]- 249.049286 152.7
[M]+ 228.07407142 151.1
[M]- 228.07516858 151.1
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