CID 6918822

5-(n-methyl-n-propargylaminomethyl)-8-hydroxyquinoline

Structural Information

Molecular Formula
C14H14N2O
SMILES
CN(CC#C)CC1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3
InChIKey
FQFLPZZATVCNLA-UHFFFAOYSA-N
Compound name
5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

102
Patents

226.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 153.2
[M+Na]+ 249.099828 163.2
[M-H]- 225.103334 154.3
[M+NH4]+ 244.144433 168.7
[M+K]+ 265.073768 157.4
[M+H-H2O]+ 209.107870 139.8
[M+HCOO]- 271.108811 169.1
[M+CH3COO]- 285.124461 201.5
[M+Na-2H]- 247.085276 158.2
[M]+ 226.11006142 148.5
[M]- 226.11115858 148.5
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