CID 24206115

861338-27-4

Structural Information

Molecular Formula
C10H9NO4
SMILES
CN1C(=O)COC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H9NO4/c1-11-7-4-6(10(13)14)2-3-8(7)15-5-9(11)12/h2-4H,5H2,1H3,(H,13,14)
InChIKey
YAECFAFQQDKRKF-UHFFFAOYSA-N
Compound name
4-methyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

207.05316 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 140.1
[M+Na]+ 230.04238 149.0
[M-H]- 206.04588 143.0
[M+NH4]+ 225.08698 157.0
[M+K]+ 246.01632 148.0
[M+H-H2O]+ 190.05042 133.8
[M+HCOO]- 252.05136 157.8
[M+CH3COO]- 266.06701 183.7
[M+Na-2H]- 228.02783 146.3
[M]+ 207.05261 140.6
[M]- 207.05371 140.6
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