CID 438947

Acetamide, 2,2,2-trichloro-n-[(octahydro-2h-quinolizin-1-yl)methyl]-

Structural Information

Molecular Formula
C12H19Cl3N2O
SMILES
C1CCN2CCCC(C2C1)CNC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C12H19Cl3N2O/c13-12(14,15)11(18)16-8-9-4-3-7-17-6-2-1-5-10(9)17/h9-10H,1-8H2,(H,16,18)
InChIKey
NOFVLLUSXYUNJG-UHFFFAOYSA-N
Compound name
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2,2,2-trichloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.0563 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06358 169.4
[M+Na]+ 335.04552 173.5
[M-H]- 311.04902 168.9
[M+NH4]+ 330.09012 184.4
[M+K]+ 351.01946 168.0
[M+H-H2O]+ 295.05356 164.4
[M+HCOO]- 357.05450 168.3
[M+CH3COO]- 371.07015 202.6
[M+Na-2H]- 333.03097 171.0
[M]+ 312.05575 165.1
[M]- 312.05685 165.1
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.