CID 3161034

842974-74-7

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC1=C(C(=NO1)C)CC2=CC=C(O2)C(=O)O
InChI
InChI=1S/C11H11NO4/c1-6-9(7(2)16-12-6)5-8-3-4-10(15-8)11(13)14/h3-4H,5H2,1-2H3,(H,13,14)
InChIKey
MENMEWDWZRFWGN-UHFFFAOYSA-N
Compound name
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

221.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 145.0
[M+Na]+ 244.05802 157.2
[M+NH4]+ 239.10262 151.4
[M+K]+ 260.03196 157.5
[M-H]- 220.06152 148.5
[M+Na-2H]- 242.04347 149.5
[M]+ 221.06825 147.6
[M]- 221.06935 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.