CID 6918822

766454-72-2

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

136
Patents

226.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 154.0
[M+Na]+ 249.09983 167.1
[M+NH4]+ 244.14443 158.9
[M+K]+ 265.07377 156.7
[M-H]- 225.10333 148.8
[M+Na-2H]- 247.08528 157.6
[M]+ 226.11006 153.6
[M]- 226.11116 153.6
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