CID 17047049

3-(benzoxazol-2-yl)benzyl alcohol

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC=CC(=C3)CO
InChI
InChI=1S/C14H11NO2/c16-9-10-4-3-5-11(8-10)14-15-12-6-1-2-7-13(12)17-14/h1-8,16H,9H2
InChIKey
ISXYEFBBGCZMAE-UHFFFAOYSA-N
Compound name
[3-(1,3-benzoxazol-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.07898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 147.1
[M+Na]+ 248.06820 163.5
[M+NH4]+ 243.11280 156.4
[M+K]+ 264.04214 157.6
[M-H]- 224.07170 152.8
[M+Na-2H]- 246.05365 156.3
[M]+ 225.07843 151.3
[M]- 225.07953 151.3
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