CID 81358889

1499713-88-0

Structural Information

Molecular Formula

C₁₂H₁₁NO₄

SMILES

C1CC(OC1)C2=NC3=C(O2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C12H11NO4/c14-12(15)7-3-4-8-10(6-7)17-11(13-8)9-2-1-5-16-9/h3-4,6,9H,1-2,5H2,(H,14,15)

InChIKey

SJYUMPRIQBUORV-UHFFFAOYSA-N

Compound name

2-(oxolan-2-yl)-1,3-benzoxazole-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.0688 Da
Monoisotopic Mass: 1.5
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]+	234.076076	146.7
[M+Na]+	256.058018	155.6
[M-H]-	232.061524	153.8
[M+NH4]+	251.102623	164.4
[M+K]+	272.031958	155.3
[M+H-H2O]+	216.066060	141.3
[M+HCOO]-	278.067001	167.1
[M+CH3COO]-	292.082651	160.3
[M+Na-2H]-	254.043466	151.0
[M]+	233.06825142	149.3
[M]-	233.06934858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe