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]+ 210.12773 148.1
[M+Na]+ 232.10967 157.1
[M-H]- 208.11317 154.7
[M+NH4]+ 227.15427 173.6
[M+K]+ 248.08361 152.6
[M+H-H2O]+ 192.11771 142.5
[M+HCOO]- 254.11865 170.0
[M+CH3COO]- 268.13430 161.8
[M+Na-2H]- 230.09512 150.2
[M]+ 209.11990 148.2
[M]- 209.12100 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.