CID 461357

8-butoxyquinoline

Structural Information

Molecular Formula
C13H15NO
SMILES
CCCCOC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C13H15NO/c1-2-3-10-15-12-8-4-6-11-7-5-9-14-13(11)12/h4-9H,2-3,10H2,1H3
InChIKey
IBSGWRFVLUWWQY-UHFFFAOYSA-N
Compound name
8-butoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

201.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 144.1
[M+Na]+ 224.104588 152.2
[M-H]- 200.108094 147.0
[M+NH4]+ 219.149193 163.1
[M+K]+ 240.078528 148.8
[M+H-H2O]+ 184.112630 136.7
[M+HCOO]- 246.113571 166.2
[M+CH3COO]- 260.129221 186.6
[M+Na-2H]- 222.090036 152.8
[M]+ 201.11482142 146.5
[M]- 201.11591858 146.5
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