CID 111455

7-(2-ethylhexyl)quinolin-8-ol

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
1
Annotation Hits

0
References

3
Patents

257.17798 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18526 163.0
[M+Na]+ 280.16720 176.6
[M+NH4]+ 275.21180 171.4
[M+K]+ 296.14114 168.2
[M-H]- 256.17070 165.4
[M+Na-2H]- 278.15265 168.9
[M]+ 257.17743 165.7
[M]- 257.17853 165.7
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