CID 47679

Brn 0397236

Structural Information

Molecular Formula
C16H28N2
SMILES
CCN(CC)CCCC1=C(C=C2N1CCCC2)C
InChI
InChI=1S/C16H28N2/c1-4-17(5-2)11-8-10-16-14(3)13-15-9-6-7-12-18(15)16/h13H,4-12H2,1-3H3
InChIKey
XRKIGRHENJSYGE-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(2-methyl-5,6,7,8-tetrahydroindolizin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.22525 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.23253 164.1
[M+Na]+ 271.21447 168.8
[M-H]- 247.21797 167.4
[M+NH4]+ 266.25907 183.5
[M+K]+ 287.18841 166.2
[M+H-H2O]+ 231.22251 156.4
[M+HCOO]- 293.22345 184.2
[M+CH3COO]- 307.23910 203.7
[M+Na-2H]- 269.19992 165.2
[M]+ 248.22470 164.8
[M]- 248.22580 164.8
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.