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]+ 214.07100 142.9
[M+Na]+ 236.05294 151.0
[M-H]- 212.05644 145.1
[M+NH4]+ 231.09754 160.1
[M+K]+ 252.02688 152.1
[M+H-H2O]+ 196.06098 137.6
[M+HCOO]- 258.06192 162.4
[M+CH3COO]- 272.07757 181.9
[M+Na-2H]- 234.03839 147.4
[M]+ 213.06317 147.0
[M]- 213.06427 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.