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 161.0
[M+Na]+ 281.16244 164.8
[M-H]- 257.16594 162.6
[M+NH4]+ 276.20704 178.2
[M+K]+ 297.13638 160.8
[M+H-H2O]+ 241.17048 152.8
[M+HCOO]- 303.17142 176.1
[M+CH3COO]- 317.18707 201.3
[M+Na-2H]- 279.14789 166.0
[M]+ 258.17267 157.4
[M]- 258.17377 157.4
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.