CID 6433297

1798-69-2

Structural Information

Molecular Formula
C18H24N2O
SMILES
CCC(=O)N1CC2CCC(C1)N2C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H24N2O/c1-2-18(21)19-13-16-10-11-17(14-19)20(16)12-6-9-15-7-4-3-5-8-15/h3-9,16-17H,2,10-14H2,1H3/b9-6+
InChIKey
PBAOPWLRQKRVIH-RMKNXTFCSA-N
Compound name
1-[8-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 171.7
[M+Na]+ 307.17809 176.3
[M-H]- 283.18159 173.7
[M+NH4]+ 302.22269 187.9
[M+K]+ 323.15203 171.1
[M+H-H2O]+ 267.18613 162.9
[M+HCOO]- 329.18707 186.2
[M+CH3COO]- 343.20272 201.5
[M+Na-2H]- 305.16354 172.0
[M]+ 284.18832 168.8
[M]- 284.18942 168.8
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.