CID 12425790

63480-11-5

Structural Information

Molecular Formula
C9H7NO3
SMILES
CC1=CC2=C(C=C1)C(=O)OC(=O)N2
InChI
InChI=1S/C9H7NO3/c1-5-2-3-6-7(4-5)10-9(12)13-8(6)11/h2-4H,1H3,(H,10,12)
InChIKey
FTOHSJGKIFDLQU-UHFFFAOYSA-N
Compound name
7-methyl-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

177.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 130.4
[M+Na]+ 200.031808 142.3
[M-H]- 176.035314 134.2
[M+NH4]+ 195.076413 149.0
[M+K]+ 216.005748 139.9
[M+H-H2O]+ 160.039850 124.3
[M+HCOO]- 222.040791 152.2
[M+CH3COO]- 236.056441 177.0
[M+Na-2H]- 198.017256 140.2
[M]+ 177.04204142 132.6
[M]- 177.04313858 132.6
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