CID 386841

Nsc679574

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CN2CC3CN1CC(C2)(C3O)C4=CC=CC=C4
InChI
InChI=1S/C15H20N2O/c18-14-12-8-16-6-7-17(9-12)11-15(14,10-16)13-4-2-1-3-5-13/h1-5,12,14,18H,6-11H2
InChIKey
MNRUFFKCDYALGA-UHFFFAOYSA-N
Compound name
1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

244.15756 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 165.2
[M+Na]+ 267.14678 173.7
[M-H]- 243.15028 165.8
[M+NH4]+ 262.19138 184.5
[M+K]+ 283.12072 166.8
[M+H-H2O]+ 227.15482 162.2
[M+HCOO]- 289.15576 171.5
[M+CH3COO]- 303.17141 173.2
[M+Na-2H]- 265.13223 175.0
[M]+ 244.15701 162.9
[M]- 244.15811 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.