CID 31090

22244-22-0

Structural Information

Molecular Formula
C11H13NO3
SMILES
CCOC(=O)C1CNC2=CC=CC=C2O1
InChI
InChI=1S/C11H13NO3/c1-2-14-11(13)10-7-12-8-5-3-4-6-9(8)15-10/h3-6,10,12H,2,7H2,1H3
InChIKey
FGYXHLIMQKWPIL-UHFFFAOYSA-N
Compound name
ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

96
Patents

207.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 143.8
[M+Na]+ 230.078758 150.3
[M-H]- 206.082264 145.7
[M+NH4]+ 225.123363 160.3
[M+K]+ 246.052698 149.0
[M+H-H2O]+ 190.086800 136.9
[M+HCOO]- 252.087741 160.9
[M+CH3COO]- 266.103391 182.2
[M+Na-2H]- 228.064206 150.7
[M]+ 207.08899142 142.9
[M]- 207.09008858 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe