CID 82276500

532391-93-8

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]+ 222.07608 145.2
[M+Na]+ 244.05802 152.5
[M-H]- 220.06152 147.6
[M+NH4]+ 239.10262 161.1
[M+K]+ 260.03196 151.7
[M+H-H2O]+ 204.06606 138.6
[M+HCOO]- 266.06700 161.6
[M+CH3COO]- 280.08265 185.8
[M+Na-2H]- 242.04347 150.3
[M]+ 221.06825 144.9
[M]- 221.06935 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.