CID 17571598

5-(5-methylfuran-2-yl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H7NO4
SMILES
CC1=CC=C(O1)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C9H7NO4/c1-5-2-3-7(13-5)8-4-6(9(11)12)10-14-8/h2-4H,1H3,(H,11,12)
InChIKey
BUGNLEZOYXVUNH-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

193.0375 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 135.1
[M+Na]+ 216.026718 145.9
[M-H]- 192.030224 142.1
[M+NH4]+ 211.071323 153.6
[M+K]+ 232.000658 146.5
[M+H-H2O]+ 176.034760 129.9
[M+HCOO]- 238.035701 159.5
[M+CH3COO]- 252.051351 177.9
[M+Na-2H]- 214.012166 140.4
[M]+ 193.03695142 140.5
[M]- 193.03804858 140.5
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