CID 3061047

78593-82-5

Structural Information

Molecular Formula
C15H15N
SMILES
C1CC2CC1C3=CN(C=C23)C4=CC=CC=C4
InChI
InChI=1S/C15H15N/c1-2-4-13(5-3-1)16-9-14-11-6-7-12(8-11)15(14)10-16/h1-5,9-12H,6-8H2
InChIKey
VGWWXZBRLRNIGC-UHFFFAOYSA-N
Compound name
4-phenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.12045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.127726 148.1
[M+Na]+ 232.109668 157.1
[M-H]- 208.113174 154.7
[M+NH4]+ 227.154273 173.6
[M+K]+ 248.083608 152.6
[M+H-H2O]+ 192.117710 142.5
[M+HCOO]- 254.118651 170.0
[M+CH3COO]- 268.134301 161.8
[M+Na-2H]- 230.095116 150.2
[M]+ 209.11990142 148.2
[M]- 209.12099858 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.