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]+ 245.164836 165.2
[M+Na]+ 267.146778 173.7
[M-H]- 243.150284 165.8
[M+NH4]+ 262.191383 184.5
[M+K]+ 283.120718 166.8
[M+H-H2O]+ 227.154820 162.2
[M+HCOO]- 289.155761 171.5
[M+CH3COO]- 303.171411 173.2
[M+Na-2H]- 265.132226 175.0
[M]+ 244.15701142 162.9
[M]- 244.15810858 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

literature stripe

Patent stripe

No patent data available for this compound.