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

49
Patents

193.0375 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 135.1
[M+Na]+ 216.02672 145.9
[M-H]- 192.03022 142.1
[M+NH4]+ 211.07132 153.6
[M+K]+ 232.00066 146.5
[M+H-H2O]+ 176.03476 129.9
[M+HCOO]- 238.03570 159.5
[M+CH3COO]- 252.05135 177.9
[M+Na-2H]- 214.01217 140.4
[M]+ 193.03695 140.5
[M]- 193.03805 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