CID 720147

3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

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
2
Annotation Hits

4
References

50
Patents

207.05316 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 138.7
[M+Na]+ 230.042378 149.6
[M-H]- 206.045884 142.3
[M+NH4]+ 225.086983 157.5
[M+K]+ 246.016318 148.0
[M+H-H2O]+ 190.050420 132.9
[M+HCOO]- 252.051361 161.5
[M+CH3COO]- 266.067011 181.4
[M+Na-2H]- 228.027826 145.8
[M]+ 207.05261142 143.8
[M]- 207.05370858 143.8
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