CID 169161

30451-32-2

Structural Information

Molecular Formula
C15H13N
SMILES
C1C2C=CC1C3=CN(C=C23)C4=CC=CC=C4
InChI
InChI=1S/C15H13N/c1-2-4-13(5-3-1)16-9-14-11-6-7-12(8-11)15(14)10-16/h1-7,9-12H,8H2
InChIKey
WURBIZFBXGCLBU-UHFFFAOYSA-N
Compound name
4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.1048 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 146.6
[M+Na]+ 230.09402 156.6
[M-H]- 206.09752 153.6
[M+NH4]+ 225.13862 172.3
[M+K]+ 246.06796 152.0
[M+H-H2O]+ 190.10206 141.0
[M+HCOO]- 252.10300 170.0
[M+CH3COO]- 266.11865 160.8
[M+Na-2H]- 228.07947 149.7
[M]+ 207.10425 148.2
[M]- 207.10535 148.2
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

No patent data available for this compound.