CID 91911

8-quinolinol, 7-(2-ethyl-1-hexen-1-yl)-

Structural Information

Molecular Formula
C17H21NO
SMILES
CCCCC(=CC1=C(C2=C(C=CC=N2)C=C1)O)CC
InChI
InChI=1S/C17H21NO/c1-3-5-7-13(4-2)12-15-10-9-14-8-6-11-18-16(14)17(15)19/h6,8-12,19H,3-5,7H2,1-2H3
InChIKey
KVXNGMXXHWBFRX-UHFFFAOYSA-N
Compound name
7-(2-ethylhex-1-enyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.16231 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 162.3
[M+Na]+ 278.15153 169.2
[M-H]- 254.15503 163.6
[M+NH4]+ 273.19613 178.6
[M+K]+ 294.12547 163.9
[M+H-H2O]+ 238.15957 154.9
[M+HCOO]- 300.16051 180.6
[M+CH3COO]- 314.17616 196.5
[M+Na-2H]- 276.13698 166.3
[M]+ 255.16176 163.2
[M]- 255.16286 163.2
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