CID 102726527

Rac-(4ar,8ar)-1-(piperidin-3-yl)-decahydroquinoline

Structural Information

Molecular Formula
C14H26N2
SMILES
C1CC[C@@H]2[C@H](C1)CCCN2C3CCCNC3
InChI
InChI=1S/C14H26N2/c1-2-8-14-12(5-1)6-4-10-16(14)13-7-3-9-15-11-13/h12-15H,1-11H2/t12-,13?,14-/m1/s1
InChIKey
HBTGAYJPEGRVRI-WYAMFQBQSA-N
Compound name
(4aR,8aR)-1-piperidin-3-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.2096 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.21688 156.8
[M+Na]+ 245.19882 156.9
[M-H]- 221.20232 157.1
[M+NH4]+ 240.24342 171.5
[M+K]+ 261.17276 152.7
[M+H-H2O]+ 205.20686 147.3
[M+HCOO]- 267.20780 165.0
[M+CH3COO]- 281.22345 164.1
[M+Na-2H]- 243.18427 158.2
[M]+ 222.20905 142.5
[M]- 222.21015 142.5
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.