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]+ 220.060436 142.7
[M+Na]+ 242.042378 152.3
[M-H]- 218.045884 145.8
[M+NH4]+ 237.086983 158.9
[M+K]+ 258.016318 150.5
[M+H-H2O]+ 202.050420 135.8
[M+HCOO]- 264.051361 163.0
[M+CH3COO]- 278.067011 184.8
[M+Na-2H]- 240.027826 150.9
[M]+ 219.05261142 145.9
[M]- 219.05370858 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.