CID 293445

9-butyramidojulolidine

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCCC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C16H22N2O/c1-2-5-15(19)17-14-10-12-6-3-8-18-9-4-7-13(11-14)16(12)18/h10-11H,2-9H2,1H3,(H,17,19)
InChIKey
AVUGJDOFAYYYMI-UHFFFAOYSA-N
Compound name
N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 161.1
[M+Na]+ 281.16244 172.4
[M+NH4]+ 276.20704 170.3
[M+K]+ 297.13638 164.5
[M-H]- 257.16594 163.9
[M+Na-2H]- 279.14789 164.8
[M]+ 258.17267 163.4
[M]- 258.17377 163.4
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.