CID 154899

32959-60-7

Structural Information

Molecular Formula
C14H11NO
SMILES
CC1=CC=CC=C1C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C14H11NO/c1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13(12)16-14/h2-9H,1H3
InChIKey
YJDFGVFSSDEVQT-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

59
Patents

209.08406 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 143.0
[M+Na]+ 232.07328 160.4
[M+NH4]+ 227.11788 153.3
[M+K]+ 248.04722 153.7
[M-H]- 208.07678 149.7
[M+Na-2H]- 230.05873 153.3
[M]+ 209.08351 147.7
[M]- 209.08461 147.7
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