CID 28808515

1018584-57-0

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=COC(=C1)C2=CC(=NO2)CC(=O)O
InChI
InChI=1S/C9H7NO4/c11-9(12)5-6-4-8(14-10-6)7-2-1-3-13-7/h1-4H,5H2,(H,11,12)
InChIKey
SHXLZAKTRKUOAP-UHFFFAOYSA-N
Compound name
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 135.4
[M+Na]+ 216.026718 145.2
[M-H]- 192.030224 141.9
[M+NH4]+ 211.071323 153.5
[M+K]+ 232.000658 145.8
[M+H-H2O]+ 176.034760 129.8
[M+HCOO]- 238.035701 159.7
[M+CH3COO]- 252.051351 176.7
[M+Na-2H]- 214.012166 141.2
[M]+ 193.03695142 140.3
[M]- 193.03804858 140.3
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.