CID 29947207

903094-60-0

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 148.4
[M+Na]+ 251.06384 155.6
[M+NH4]+ 246.10844 152.5
[M+K]+ 267.03778 156.8
[M-H]- 227.06734 146.8
[M+Na-2H]- 249.04929 149.8
[M]+ 228.07407 148.4
[M]- 228.07517 148.4
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