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]+ 194.04478 135.4
[M+Na]+ 216.02672 145.2
[M-H]- 192.03022 141.9
[M+NH4]+ 211.07132 153.5
[M+K]+ 232.00066 145.8
[M+H-H2O]+ 176.03476 129.8
[M+HCOO]- 238.03570 159.7
[M+CH3COO]- 252.05135 176.7
[M+Na-2H]- 214.01217 141.2
[M]+ 193.03695 140.3
[M]- 193.03805 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.