CID 111455

8-quinolinol, 7-(2-ethylhexyl)-

Structural Information

Molecular Formula
C17H23NO
SMILES
CCCCC(CC)CC1=C(C2=C(C=CC=N2)C=C1)O
InChI
InChI=1S/C17H23NO/c1-3-5-7-13(4-2)12-15-10-9-14-8-6-11-18-16(14)17(15)19/h6,8-11,13,19H,3-5,7,12H2,1-2H3
InChIKey
FOMHJBDTLRDQBH-UHFFFAOYSA-N
Compound name
7-(2-ethylhexyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

257.17798 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 163.4
[M+Na]+ 280.167198 169.9
[M-H]- 256.170704 164.6
[M+NH4]+ 275.211803 179.7
[M+K]+ 296.141138 165.2
[M+H-H2O]+ 240.175240 155.9
[M+HCOO]- 302.176181 181.5
[M+CH3COO]- 316.191831 198.0
[M+Na-2H]- 278.152646 167.4
[M]+ 257.17743142 165.1
[M]- 257.17852858 165.1
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