CID 58567

101607-37-8

Structural Information

Molecular Formula
C15H31N3
SMILES
CCN(CC)CCCN1CC2CCCC(C1)N2C
InChI
InChI=1S/C15H31N3/c1-4-17(5-2)10-7-11-18-12-14-8-6-9-15(13-18)16(14)3/h14-15H,4-13H2,1-3H3
InChIKey
HGZPLIIKRZQZRG-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.2518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.25908 166.9
[M+Na]+ 276.24102 169.4
[M-H]- 252.24452 166.2
[M+NH4]+ 271.28562 183.3
[M+K]+ 292.21496 167.3
[M+H-H2O]+ 236.24906 158.2
[M+HCOO]- 298.25000 180.5
[M+CH3COO]- 312.26565 205.8
[M+Na-2H]- 274.22647 169.1
[M]+ 253.25125 164.6
[M]- 253.25235 164.6
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.