CID 37298

Brn 1641594

Structural Information

Molecular Formula
C17H26N2
SMILES
C#CCN(CCCN1CC2CCC(C1)CC2)CC#C
InChI
InChI=1S/C17H26N2/c1-3-10-18(11-4-2)12-5-13-19-14-16-6-7-17(15-19)9-8-16/h1-2,16-17H,5-15H2
InChIKey
CTOXDZJZYCWMDY-UHFFFAOYSA-N
Compound name
3-(3-azabicyclo[3.2.2]nonan-3-yl)-N,N-bis(prop-2-ynyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.2096 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.21688 164.4
[M+Na]+ 281.19882 173.2
[M-H]- 257.20232 165.4
[M+NH4]+ 276.24342 176.5
[M+K]+ 297.17276 163.7
[M+H-H2O]+ 241.20686 156.6
[M+HCOO]- 303.20780 167.2
[M+CH3COO]- 317.22345 169.1
[M+Na-2H]- 279.18427 167.5
[M]+ 258.20905 157.8
[M]- 258.21015 157.8
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.