CID 70039

835-71-2

Structural Information

Molecular Formula
C14H11NO
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C14H11NO/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChIKey
UTMZWCTVPHAOJZ-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

276
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 142.8
[M+Na]+ 232.07328 154.1
[M-H]- 208.07678 150.8
[M+NH4]+ 227.11788 162.2
[M+K]+ 248.04722 150.7
[M+H-H2O]+ 192.08132 135.7
[M+HCOO]- 254.08226 167.4
[M+CH3COO]- 268.09791 157.7
[M+Na-2H]- 230.05873 151.5
[M]+ 209.08351 146.3
[M]- 209.08461 146.3
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