CID 209629

Brn 1125896

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1C2=CC=CC=C2OC(=O)N1CCC(=O)O
InChI
InChI=1S/C11H11NO4/c13-10(14)5-6-12-7-8-3-1-2-4-9(8)16-11(12)15/h1-4H,5-7H2,(H,13,14)
InChIKey
QUEAXSWPSMOYNY-UHFFFAOYSA-N
Compound name
3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 145.0
[M+Na]+ 244.058018 152.5
[M-H]- 220.061524 147.3
[M+NH4]+ 239.102623 160.9
[M+K]+ 260.031958 151.1
[M+H-H2O]+ 204.066060 138.1
[M+HCOO]- 266.067001 162.4
[M+CH3COO]- 280.082651 185.5
[M+Na-2H]- 242.043466 151.3
[M]+ 221.06825142 145.3
[M]- 221.06934858 145.3
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.