CID 59316841

1007876-02-9

Structural Information

Molecular Formula
C10H9NO4
SMILES
CN1C(=O)COC2=CC=CC(=C21)C(=O)O
InChI
InChI=1S/C10H9NO4/c1-11-8(12)5-15-7-4-2-3-6(9(7)11)10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKey
CAELGQVNTXIXQC-UHFFFAOYSA-N
Compound name
4-methyl-3-oxo-1,4-benzoxazine-5-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]+ 208.060436 140.1
[M+Na]+ 230.042378 149.0
[M-H]- 206.045884 143.0
[M+NH4]+ 225.086983 157.0
[M+K]+ 246.016318 148.0
[M+H-H2O]+ 190.050420 133.8
[M+HCOO]- 252.051361 157.8
[M+CH3COO]- 266.067011 183.7
[M+Na-2H]- 228.027826 146.3
[M]+ 207.05261142 140.6
[M]- 207.05370858 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