CID 3061051

78593-86-9

Structural Information

Molecular Formula
C15H19N
SMILES
C1CC2CC1C3C2CN(C3)C4=CC=CC=C4
InChI
InChI=1S/C15H19N/c1-2-4-13(5-3-1)16-9-14-11-6-7-12(8-11)15(14)10-16/h1-5,11-12,14-15H,6-10H2
InChIKey
QPAIRGGZQJJUBL-UHFFFAOYSA-N
Compound name
4-phenyl-4-azatricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.159026 151.5
[M+Na]+ 236.140968 158.3
[M-H]- 212.144474 157.1
[M+NH4]+ 231.185573 176.6
[M+K]+ 252.114908 154.1
[M+H-H2O]+ 196.149010 145.6
[M+HCOO]- 258.149951 170.4
[M+CH3COO]- 272.165601 163.9
[M+Na-2H]- 234.126416 151.5
[M]+ 213.15120142 148.5
[M]- 213.15229858 148.5
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.