CID 11600770

6529-94-8

Structural Information

Molecular Formula
C9H9NO3
SMILES
COC1=CC2=C(C=C1)NC(=O)CO2
InChI
InChI=1S/C9H9NO3/c1-12-6-2-3-7-8(4-6)13-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)
InChIKey
UGJVRGLKGBFDOD-UHFFFAOYSA-N
Compound name
7-methoxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

110
Patents

179.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 133.9
[M+Na]+ 202.047458 142.5
[M-H]- 178.050964 136.5
[M+NH4]+ 197.092063 151.9
[M+K]+ 218.021398 141.1
[M+H-H2O]+ 162.055500 127.5
[M+HCOO]- 224.056441 152.6
[M+CH3COO]- 238.072091 177.1
[M+Na-2H]- 200.032906 142.5
[M]+ 179.05769142 133.5
[M]- 179.05878858 133.5
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