CID 5118730

5-[(diethylamino)methyl]quinolin-8-ol

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCN(CC)CC1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C14H18N2O/c1-3-16(4-2)10-11-7-8-13(17)14-12(11)6-5-9-15-14/h5-9,17H,3-4,10H2,1-2H3
InChIKey
QPWSNIQRSNHHSJ-UHFFFAOYSA-N
Compound name
5-(diethylaminomethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

230.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.0
[M+Na]+ 253.13112 160.3
[M-H]- 229.13462 156.1
[M+NH4]+ 248.17572 170.7
[M+K]+ 269.10506 157.2
[M+H-H2O]+ 213.13916 145.4
[M+HCOO]- 275.14010 174.7
[M+CH3COO]- 289.15575 196.4
[M+Na-2H]- 251.11657 159.6
[M]+ 230.14135 154.8
[M]- 230.14245 154.8
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