CID 62906595

5-(oxan-4-yl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
C1COCCC1C2=C(N=CO2)C(=O)O
InChI
InChI=1S/C9H11NO4/c11-9(12)7-8(14-5-10-7)6-1-3-13-4-2-6/h5-6H,1-4H2,(H,11,12)
InChIKey
ZOMHIPKCJDYIQY-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 140.7
[M+Na]+ 220.05802 151.0
[M+NH4]+ 215.10262 147.6
[M+K]+ 236.03196 149.7
[M-H]- 196.06152 144.3
[M+Na-2H]- 218.04347 144.5
[M]+ 197.06825 142.9
[M]- 197.06935 142.9
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.