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

25
Patents

228.07462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08190 147.9
[M+Na]+ 251.06384 155.0
[M-H]- 227.06734 150.1
[M+NH4]+ 246.10844 164.1
[M+K]+ 267.03778 156.1
[M+H-H2O]+ 211.07188 142.0
[M+HCOO]- 273.07282 168.4
[M+CH3COO]- 287.08847 186.4
[M+Na-2H]- 249.04929 152.7
[M]+ 228.07407 151.1
[M]- 228.07517 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