CID 393915

Nsc696886

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC1=C(C=C2C(=C1)C(=O)C=NO2)O
InChI
InChI=1S/C9H7NO4/c1-13-9-2-5-7(12)4-10-14-8(5)3-6(9)11/h2-4,11H,1H3
InChIKey
GOEADOVAWDHEBK-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methoxy-1,2-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 134.2
[M+Na]+ 216.02672 145.7
[M-H]- 192.03022 138.0
[M+NH4]+ 211.07132 152.1
[M+K]+ 232.00066 144.6
[M+H-H2O]+ 176.03476 127.8
[M+HCOO]- 238.03570 156.0
[M+CH3COO]- 252.05135 179.9
[M+Na-2H]- 214.01217 144.1
[M]+ 193.03695 138.5
[M]- 193.03805 138.5
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

No patent data available for this compound.