CID 535625

2-(2-oxo-3,4-dihydro-2h-1,4-benzoxazin-4-yl)acetic acid

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1C(=O)OC2=CC=CC=C2N1CC(=O)O
InChI
InChI=1S/C10H9NO4/c12-9(13)5-11-6-10(14)15-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13)
InChIKey
FYMAUNOZQOLGTF-UHFFFAOYSA-N
Compound name
2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

207.05316 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 140.3
[M+Na]+ 230.04238 148.2
[M-H]- 206.04588 142.8
[M+NH4]+ 225.08698 156.8
[M+K]+ 246.01632 147.1
[M+H-H2O]+ 190.05042 133.7
[M+HCOO]- 252.05136 158.0
[M+CH3COO]- 266.06701 182.5
[M+Na-2H]- 228.02783 147.1
[M]+ 207.05261 140.3
[M]- 207.05371 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe