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
3
Annotation Hits

56
References

35781
Patents

139.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.143376 131.7
[M+Na]+ 162.125318 134.9
[M-H]- 138.128824 131.7
[M+NH4]+ 157.169923 151.8
[M+K]+ 178.099258 132.3
[M+H-H2O]+ 122.133360 125.2
[M+HCOO]- 184.134301 146.0
[M+CH3COO]- 198.149951 142.5
[M+Na-2H]- 160.110766 137.5
[M]+ 139.13555142 121.7
[M]- 139.13664858 121.7
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.