CID 720147

13610-59-8

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)O
InChI
InChI=1S/C10H9NO4/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)
InChIKey
BMLRDVCKJXMASM-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-benzoxazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

48
Patents

207.05316 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 140.0
[M+Na]+ 230.04238 152.9
[M+NH4]+ 225.08698 146.9
[M+K]+ 246.01632 150.2
[M-H]- 206.04588 141.2
[M+Na-2H]- 228.02783 144.6
[M]+ 207.05261 142.0
[M]- 207.05371 142.0
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