CID 67125735

8-sec-butyl-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C13H19N
SMILES
CCC(C)C1CCCC2=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
InChIKey
VEUUOOHXJMZARX-UHFFFAOYSA-N
Compound name
8-butan-2-yl-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

157
Patents

189.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 144.2
[M+Na]+ 212.14097 157.5
[M+NH4]+ 207.18557 154.2
[M+K]+ 228.11491 149.5
[M-H]- 188.14447 147.5
[M+Na-2H]- 210.12642 150.8
[M]+ 189.15120 147.1
[M]- 189.15230 147.1
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

patents stripe