CID 106734

8-(sec-butyl)quinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CCC(C)C1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C13H15N/c1-3-10(2)12-8-4-6-11-7-5-9-14-13(11)12/h4-10H,3H2,1-2H3
InChIKey
UNHPNXMTAQYTRG-UHFFFAOYSA-N
Compound name
8-butan-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

214
Patents

185.12045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 140.9
[M+Na]+ 208.109668 148.7
[M-H]- 184.113174 143.9
[M+NH4]+ 203.154273 160.6
[M+K]+ 224.083608 145.4
[M+H-H2O]+ 168.117710 133.9
[M+HCOO]- 230.118651 161.7
[M+CH3COO]- 244.134301 185.5
[M+Na-2H]- 206.095116 148.4
[M]+ 185.11990142 141.2
[M]- 185.12099858 141.2
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