CID 3399887

154365-40-9

Structural Information

Molecular Formula
C10H9NO4
SMILES
CC1(C(=O)NC2=CC=CC=C2O1)C(=O)O
InChI
InChI=1S/C10H9NO4/c1-10(9(13)14)8(12)11-6-4-2-3-5-7(6)15-10/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKey
HNDTULADLKGMDH-UHFFFAOYSA-N
Compound name
2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.05316 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 141.0
[M+Na]+ 230.04238 149.6
[M-H]- 206.04588 142.5
[M+NH4]+ 225.08698 158.9
[M+K]+ 246.01632 147.9
[M+H-H2O]+ 190.05042 135.4
[M+HCOO]- 252.05136 157.2
[M+CH3COO]- 266.06701 179.6
[M+Na-2H]- 228.02783 148.6
[M]+ 207.05261 139.7
[M]- 207.05371 139.7
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