CID 3085737

7-(4-ethyl-1-methyleneoctyl)-8-guinolinol

Structural Information

Molecular Formula
C20H27NO
SMILES
CCCC[C@@H](CC)CCC(=C)C1=C(C2=C(C=CC=N2)C=C1)O
InChI
InChI=1S/C20H27NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-14,16,22H,3-6,8,10-11H2,1-2H3/t16-/m1/s1
InChIKey
XMMALARTZCMXCN-MRXNPFEDSA-N
Compound name
7-[(5R)-5-ethylnon-1-en-2-yl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 176.0
[M+Na]+ 320.19848 181.1
[M-H]- 296.20198 176.7
[M+NH4]+ 315.24308 190.4
[M+K]+ 336.17242 175.6
[M+H-H2O]+ 280.20652 168.1
[M+HCOO]- 342.20746 192.2
[M+CH3COO]- 356.22311 207.0
[M+Na-2H]- 318.18393 177.2
[M]+ 297.20871 177.4
[M]- 297.20981 177.4
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

No patent data available for this compound.