CID 53403841

1007875-95-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

179.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 135.8
[M+Na]+ 202.04746 147.6
[M+NH4]+ 197.09206 143.5
[M+K]+ 218.02140 143.0
[M-H]- 178.05096 137.5
[M+Na-2H]- 200.03291 140.1
[M]+ 179.05769 137.7
[M]- 179.05879 137.7
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