CID 843784

13610-66-7

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.07608	144.6
[M+Na]+	244.05802	157.2
[M+NH4]+	239.10262	151.3
[M+K]+	260.03196	154.3
[M-H]-	220.06152	145.7
[M+Na-2H]-	242.04347	148.9
[M]+	221.06825	146.5
[M]-	221.06935	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.