CID 66078

Trans-decahydroquinoline

Structural Information

Molecular Formula
C9H17N
SMILES
C1CC[C@H]2[C@H](C1)CCCN2
InChI
InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2/t8-,9+/m1/s1
InChIKey
POTIYWUALSJREP-BDAKNGLRSA-N
Compound name
(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

56
References

19598
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.14338 132.5
[M+Na]+ 162.12532 143.1
[M+NH4]+ 157.16992 142.6
[M+K]+ 178.09926 135.9
[M-H]- 138.12882 134.9
[M+Na-2H]- 160.11077 137.2
[M]+ 139.13555 134.5
[M]- 139.13665 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe