CID 2764103

134997-91-4

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)CC(=O)O
InChI
InChI=1S/C10H9NO4/c12-9-5-15-8-2-1-6(4-10(13)14)3-7(8)11-9/h1-3H,4-5H2,(H,11,12)(H,13,14)
InChIKey
BJCBIJULJONCMY-UHFFFAOYSA-N
Compound name
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

207.05316 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 141.0
[M+Na]+ 230.04238 148.5
[M-H]- 206.04588 142.1
[M+NH4]+ 225.08698 156.8
[M+K]+ 246.01632 146.5
[M+H-H2O]+ 190.05042 134.6
[M+HCOO]- 252.05136 157.2
[M+CH3COO]- 266.06701 180.1
[M+Na-2H]- 228.02783 147.4
[M]+ 207.05261 139.2
[M]- 207.05371 139.2
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