CID 843784

4-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)butanoic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)O
InChI
InChI=1S/C11H11NO4/c13-10(14)6-3-7-12-8-4-1-2-5-9(8)16-11(12)15/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKey
SRSAVCBMZKGUNE-UHFFFAOYSA-N
Compound name
4-(2-oxo-1,3-benzoxazol-3-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

221.0688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 143.5
[M+Na]+ 244.058018 154.0
[M-H]- 220.061524 147.0
[M+NH4]+ 239.102623 161.7
[M+K]+ 260.031958 152.1
[M+H-H2O]+ 204.066060 137.5
[M+HCOO]- 266.067001 166.0
[M+CH3COO]- 280.082651 184.4
[M+Na-2H]- 242.043466 150.1
[M]+ 221.06825142 148.9
[M]- 221.06934858 148.9
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

No patent data available for this compound.