CID 18453188

4-(2-oxo-1,3-oxazinan-3-yl)benzoic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1CN(C(=O)OC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H11NO4/c13-10(14)8-2-4-9(5-3-8)12-6-1-7-16-11(12)15/h2-5H,1,6-7H2,(H,13,14)
InChIKey
IXFLJRWKXYVANE-UHFFFAOYSA-N
Compound name
4-(2-oxo-1,3-oxazinan-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

221.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.7
[M+Na]+ 244.05802 158.7
[M+NH4]+ 239.10262 153.4
[M+K]+ 260.03196 154.3
[M-H]- 220.06152 149.7
[M+Na-2H]- 242.04347 152.2
[M]+ 221.06825 149.0
[M]- 221.06935 149.0
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