CID 3039779

6-benzoxazoleethanol, 2-phenyl-

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)CCO
InChI
InChI=1S/C15H13NO2/c17-9-8-11-6-7-13-14(10-11)18-15(16-13)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2
InChIKey
KMDZWNLTWZXSQD-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-benzoxazol-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

239.09464 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 151.1
[M+Na]+ 262.083858 161.3
[M-H]- 238.087364 157.6
[M+NH4]+ 257.128463 168.5
[M+K]+ 278.057798 157.4
[M+H-H2O]+ 222.091900 143.9
[M+HCOO]- 284.092841 174.0
[M+CH3COO]- 298.108491 164.6
[M+Na-2H]- 260.069306 158.8
[M]+ 239.09409142 154.5
[M]- 239.09518858 154.5
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

patents stripe