CID 293460

8-acetamidolilolidine

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC(=O)NC1=CC2=C3C(=C1)CCN3CCC2
InChI
InChI=1S/C13H16N2O/c1-9(16)14-12-7-10-3-2-5-15-6-4-11(8-12)13(10)15/h7-8H,2-6H2,1H3,(H,14,16)
InChIKey
JEUSAWIVBAFXFS-UHFFFAOYSA-N
Compound name
N-(1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.1
[M+Na]+ 239.11549 154.4
[M-H]- 215.11899 150.9
[M+NH4]+ 234.16009 169.2
[M+K]+ 255.08943 151.0
[M+H-H2O]+ 199.12353 141.3
[M+HCOO]- 261.12447 166.6
[M+CH3COO]- 275.14012 159.9
[M+Na-2H]- 237.10094 153.0
[M]+ 216.12572 145.9
[M]- 216.12682 145.9
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.