CID 685879

247571-62-6

Structural Information

Molecular Formula
C11H9NO4
SMILES
C1=CC=C2C(=C1)N=C(C(=O)O2)CCC(=O)O
InChI
InChI=1S/C11H9NO4/c13-10(14)6-5-8-11(15)16-9-4-2-1-3-7(9)12-8/h1-4H,5-6H2,(H,13,14)
InChIKey
GIFJHLAHTBXAFT-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,4-benzoxazin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 142.7
[M+Na]+ 242.04238 152.3
[M-H]- 218.04588 145.8
[M+NH4]+ 237.08698 158.9
[M+K]+ 258.01632 150.5
[M+H-H2O]+ 202.05042 135.8
[M+HCOO]- 264.05136 163.0
[M+CH3COO]- 278.06701 184.8
[M+Na-2H]- 240.02783 150.9
[M]+ 219.05261 145.9
[M]- 219.05371 145.9
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

No patent data available for this compound.