CID 11074014

69804-59-7

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1=CC2=C(C=C1O)OC(C(=O)N2)O
InChI
InChI=1S/C8H7NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,8,10,12H,(H,9,11)
InChIKey
HDRDOKTYPONKPM-UHFFFAOYSA-N
Compound name
2,7-dihydroxy-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

181.0375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.044776 133.6
[M+Na]+ 204.026718 142.6
[M-H]- 180.030224 134.0
[M+NH4]+ 199.071323 150.3
[M+K]+ 220.000658 140.3
[M+H-H2O]+ 164.034760 128.0
[M+HCOO]- 226.035701 149.8
[M+CH3COO]- 240.051351 172.8
[M+Na-2H]- 202.012166 141.1
[M]+ 181.03695142 131.1
[M]- 181.03804858 131.1
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