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 144.4
[M+Na]+ 244.05802 155.3
[M-H]- 220.06152 151.5
[M+NH4]+ 239.10262 162.1
[M+K]+ 260.03196 155.3
[M+H-H2O]+ 204.06606 139.2
[M+HCOO]- 266.06700 168.1
[M+CH3COO]- 280.08265 185.1
[M+Na-2H]- 242.04347 148.0
[M]+ 221.06825 150.9
[M]- 221.06935 150.9
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.