CID 11550082

24088-77-5

Structural Information

Molecular Formula
C9H7NO3
SMILES
CC1=CC2=C(C=C1)C(=O)NC(=O)O2
InChI
InChI=1S/C9H7NO3/c1-5-2-3-6-7(4-5)13-9(12)10-8(6)11/h2-4H,1H3,(H,10,11,12)
InChIKey
HQUVXRFXGBZDNB-UHFFFAOYSA-N
Compound name
7-methyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

177.04259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 130.4
[M+Na]+ 200.03181 142.3
[M-H]- 176.03531 134.2
[M+NH4]+ 195.07641 149.0
[M+K]+ 216.00575 139.9
[M+H-H2O]+ 160.03985 124.3
[M+HCOO]- 222.04079 152.2
[M+CH3COO]- 236.05644 177.0
[M+Na-2H]- 198.01726 140.2
[M]+ 177.04204 132.6
[M]- 177.04314 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