CID 134814673

1401913-94-7

Structural Information

Molecular Formula
C13H19N
SMILES
CC[C@@H](C)[C@@H]1CCCC2=C1N=CC=C2
InChI
InChI=1S/C13H19N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t10-,12+/m1/s1
InChIKey
VEUUOOHXJMZARX-PWSUYJOCSA-N
Compound name
(8S)-8-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

215
Patents

189.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.1
[M+Na]+ 212.140968 149.8
[M-H]- 188.144474 146.3
[M+NH4]+ 207.185573 163.5
[M+K]+ 228.114908 146.9
[M+H-H2O]+ 172.149010 137.0
[M+HCOO]- 234.149951 162.0
[M+CH3COO]- 248.165601 186.1
[M+Na-2H]- 210.126416 149.5
[M]+ 189.15120142 141.5
[M]- 189.15229858 141.5
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.