CID 135552044

3773-90-8

Structural Information

Molecular Formula
C9H7NO4
SMILES
CC1=NC2=C(C(=C(C=C2)O)O)OC1=O
InChI
InChI=1S/C9H7NO4/c1-4-9(13)14-8-5(10-4)2-3-6(11)7(8)12/h2-3,11-12H,1H3
InChIKey
ZEHBFGGRTGYMCH-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-3-methyl-1,4-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0375 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 135.1
[M+Na]+ 216.02672 147.0
[M-H]- 192.03022 137.9
[M+NH4]+ 211.07132 152.5
[M+K]+ 232.00066 145.0
[M+H-H2O]+ 176.03476 129.2
[M+HCOO]- 238.03570 155.3
[M+CH3COO]- 252.05135 178.8
[M+Na-2H]- 214.01217 143.7
[M]+ 193.03695 138.0
[M]- 193.03805 138.0
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.