CID 84075776

2089255-07-0

Structural Information

Molecular Formula
C9H11NO5
SMILES
CC(C)(C)OC(=O)C1=NOC(=C1)C(=O)O
InChI
InChI=1S/C9H11NO5/c1-9(2,3)14-8(13)5-4-6(7(11)12)15-10-5/h4H,1-3H3,(H,11,12)
InChIKey
LQKSBDDJUVFLDA-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.070996 142.9
[M+Na]+ 236.052938 151.0
[M-H]- 212.056444 145.1
[M+NH4]+ 231.097543 160.1
[M+K]+ 252.026878 152.1
[M+H-H2O]+ 196.060980 137.6
[M+HCOO]- 258.061921 162.4
[M+CH3COO]- 272.077571 181.9
[M+Na-2H]- 234.038386 147.4
[M]+ 213.06317142 147.0
[M]- 213.06426858 147.0
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

No patent data available for this compound.