CID 82092

6-butylquinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CCCCC1=CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C13H15N/c1-2-3-5-11-7-8-13-12(10-11)6-4-9-14-13/h4,6-10H,2-3,5H2,1H3
InChIKey
HIFRWMLBTWKDIH-UHFFFAOYSA-N
Compound name
6-butylquinoline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

45
Patents

185.12045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.127726 140.6
[M+Na]+ 208.109668 148.8
[M-H]- 184.113174 143.5
[M+NH4]+ 203.154273 160.4
[M+K]+ 224.083608 144.9
[M+H-H2O]+ 168.117710 133.5
[M+HCOO]- 230.118651 162.5
[M+CH3COO]- 244.134301 184.6
[M+Na-2H]- 206.095116 149.3
[M]+ 185.11990142 141.5
[M]- 185.12099858 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

literature stripe

Patent stripe

patents stripe