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]+ 223.216876 156.8
[M+Na]+ 245.198818 156.9
[M-H]- 221.202324 157.1
[M+NH4]+ 240.243423 171.5
[M+K]+ 261.172758 152.7
[M+H-H2O]+ 205.206860 147.3
[M+HCOO]- 267.207801 165.0
[M+CH3COO]- 281.223451 164.1
[M+Na-2H]- 243.184266 158.2
[M]+ 222.20905142 142.5
[M]- 222.21014858 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.