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

10
Patents

207.05316 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 141.0
[M+Na]+ 230.042378 149.6
[M-H]- 206.045884 142.5
[M+NH4]+ 225.086983 158.9
[M+K]+ 246.016318 147.9
[M+H-H2O]+ 190.050420 135.4
[M+HCOO]- 252.051361 157.2
[M+CH3COO]- 266.067011 179.6
[M+Na-2H]- 228.027826 148.6
[M]+ 207.05261142 139.7
[M]- 207.05370858 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