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]+ 222.07608 143.5
[M+Na]+ 244.05802 154.0
[M-H]- 220.06152 147.0
[M+NH4]+ 239.10262 161.7
[M+K]+ 260.03196 152.1
[M+H-H2O]+ 204.06606 137.5
[M+HCOO]- 266.06700 166.0
[M+CH3COO]- 280.08265 184.4
[M+Na-2H]- 242.04347 150.1
[M]+ 221.06825 148.9
[M]- 221.06935 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.