CID 3020035

8-butylquinoline

Structural Information

Molecular Formula
C13H15N
SMILES
CCCCC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C13H15N/c1-2-3-6-11-7-4-8-12-9-5-10-14-13(11)12/h4-5,7-10H,2-3,6H2,1H3
InChIKey
YDSONSCALKQCLG-UHFFFAOYSA-N
Compound name
8-butylquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

185.12045 Da
Monoisotopic Mass

4.0
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

No literature data available for this compound.

Patent stripe

patents stripe