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 145.7
[M+Na]+ 244.05802 152.1
[M-H]- 220.06152 150.1
[M+NH4]+ 239.10262 160.2
[M+K]+ 260.03196 151.0
[M+H-H2O]+ 204.06606 138.1
[M+HCOO]- 266.06700 163.3
[M+CH3COO]- 280.08265 184.1
[M+Na-2H]- 242.04347 150.3
[M]+ 221.06825 143.2
[M]- 221.06935 143.2
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