CID 206421

Brn 1642334

Structural Information

Molecular Formula
C18H32N2
SMILES
CCN(CC)CC#CCN1CC2CCC(C1)(C2(C)C)C
InChI
InChI=1S/C18H32N2/c1-6-19(7-2)12-8-9-13-20-14-16-10-11-18(5,15-20)17(16,3)4/h16H,6-7,10-15H2,1-5H3
InChIKey
MHWFNYXJMLEDSD-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)but-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.25656 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.26384 167.7
[M+Na]+ 299.24578 176.1
[M-H]- 275.24928 168.4
[M+NH4]+ 294.29038 188.4
[M+K]+ 315.21972 168.7
[M+H-H2O]+ 259.25382 155.9
[M+HCOO]- 321.25476 179.3
[M+CH3COO]- 335.27041 213.2
[M+Na-2H]- 297.23123 169.0
[M]+ 276.25601 162.8
[M]- 276.25711 162.8
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.