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]+ 214.15903 151.5
[M+Na]+ 236.14097 158.3
[M-H]- 212.14447 157.1
[M+NH4]+ 231.18557 176.6
[M+K]+ 252.11491 154.1
[M+H-H2O]+ 196.14901 145.6
[M+HCOO]- 258.14995 170.4
[M+CH3COO]- 272.16560 163.9
[M+Na-2H]- 234.12642 151.5
[M]+ 213.15120 148.5
[M]- 213.15230 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.