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
2
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]+ 273.159746 162.8
[M+Na]+ 295.141688 166.7
[M-H]- 271.145194 166.0
[M+NH4]+ 290.186293 179.9
[M+K]+ 311.115628 164.7
[M+H-H2O]+ 255.149730 154.7
[M+HCOO]- 317.150671 177.8
[M+CH3COO]- 331.166321 206.3
[M+Na-2H]- 293.127136 166.1
[M]+ 272.15192142 160.5
[M]- 272.15301858 160.5
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.