CID 720987

3-(1,3-benzoxazol-2-yl)aniline

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N
InChI
InChI=1S/C13H10N2O/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2
InChIKey
WHVJDKRJPAKQIO-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

68
Patents

210.07932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 142.6
[M+Na]+ 233.06854 153.3
[M-H]- 209.07204 150.2
[M+NH4]+ 228.11314 161.3
[M+K]+ 249.04248 149.7
[M+H-H2O]+ 193.07658 135.2
[M+HCOO]- 255.07752 167.8
[M+CH3COO]- 269.09317 157.0
[M+Na-2H]- 231.05399 151.3
[M]+ 210.07877 144.1
[M]- 210.07987 144.1
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