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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 147.1
[M+Na]+ 256.05802 159.0
[M+NH4]+ 251.10262 154.7
[M+K]+ 272.03196 158.7
[M-H]- 232.06152 151.4
[M+Na-2H]- 254.04347 151.4
[M]+ 233.06825 149.9
[M]- 233.06935 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe