CID 377639

N,n-diacetyl-9-aminojulolidine

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC(=O)N(C1=CC2=C3C(=C1)CCCN3CCC2)C(=O)C
InChI
InChI=1S/C16H20N2O2/c1-11(19)18(12(2)20)15-9-13-5-3-7-17-8-4-6-14(10-15)16(13)17/h9-10H,3-8H2,1-2H3
InChIKey
TZCGQOBSJSNTMP-UHFFFAOYSA-N
Compound name
N-acetyl-N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 162.2
[M+Na]+ 295.14169 172.8
[M+NH4]+ 290.18629 170.6
[M+K]+ 311.11563 166.8
[M-H]- 271.14519 164.3
[M+Na-2H]- 293.12714 165.3
[M]+ 272.15192 164.0
[M]- 272.15302 164.0
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.