CID 81403

8-quinolinol, 5-benzyl-

Structural Information

Molecular Formula
C16H13NO
SMILES
C1=CC=C(C=C1)CC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C16H13NO/c18-15-9-8-13(11-12-5-2-1-3-6-12)14-7-4-10-17-16(14)15/h1-10,18H,11H2
InChIKey
XMMNJZRNOIZBDA-UHFFFAOYSA-N
Compound name
5-benzylquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

39
Patents

235.09972 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 152.1
[M+Na]+ 258.08894 160.7
[M-H]- 234.09244 157.2
[M+NH4]+ 253.13354 168.7
[M+K]+ 274.06288 155.0
[M+H-H2O]+ 218.09698 143.8
[M+HCOO]- 280.09792 173.0
[M+CH3COO]- 294.11357 164.3
[M+Na-2H]- 256.07439 160.4
[M]+ 235.09917 151.4
[M]- 235.10027 151.4
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