CID 82276500

4-acetyl-3,4-dihydro-2h-1,4-benzoxazine-6-carboxylic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC(=O)N1CCOC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C11H11NO4/c1-7(13)12-4-5-16-10-3-2-8(11(14)15)6-9(10)12/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKey
SNHNSLXZWTXXPI-UHFFFAOYSA-N
Compound name
4-acetyl-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 145.2
[M+Na]+ 244.058018 152.5
[M-H]- 220.061524 147.6
[M+NH4]+ 239.102623 161.1
[M+K]+ 260.031958 151.7
[M+H-H2O]+ 204.066060 138.6
[M+HCOO]- 266.067001 161.6
[M+CH3COO]- 280.082651 185.8
[M+Na-2H]- 242.043466 150.3
[M]+ 221.06825142 144.9
[M]- 221.06934858 144.9
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.