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]+ 208.112076 146.6
[M+Na]+ 230.094018 156.6
[M-H]- 206.097524 153.6
[M+NH4]+ 225.138623 172.3
[M+K]+ 246.067958 152.0
[M+H-H2O]+ 190.102060 141.0
[M+HCOO]- 252.103001 170.0
[M+CH3COO]- 266.118651 160.8
[M+Na-2H]- 228.079466 149.7
[M]+ 207.10425142 148.2
[M]- 207.10534858 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.