CID 14988451

123296-71-9

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1COC2=CC=CC(=C2N1)C(=O)O
InChI
InChI=1S/C9H9NO3/c11-9(12)6-2-1-3-7-8(6)10-4-5-13-7/h1-3,10H,4-5H2,(H,11,12)
InChIKey
PXUXUJPEQCJYIM-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

179.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 134.8
[M+Na]+ 202.047458 141.7
[M-H]- 178.050964 135.7
[M+NH4]+ 197.092063 151.6
[M+K]+ 218.021398 139.9
[M+H-H2O]+ 162.055500 128.6
[M+HCOO]- 224.056441 151.0
[M+CH3COO]- 238.072091 174.4
[M+Na-2H]- 200.032906 142.3
[M]+ 179.05769142 131.5
[M]- 179.05878858 131.5
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