CID 776032

5-(pyrrolidin-1-ylmethyl)quinolin-8-ol

Structural Information

Molecular Formula
C14H16N2O
SMILES
C1CCN(C1)CC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C14H16N2O/c17-13-6-5-11(10-16-8-1-2-9-16)12-4-3-7-15-14(12)13/h3-7,17H,1-2,8-10H2
InChIKey
YIDLQDBGBKKOGB-UHFFFAOYSA-N
Compound name
5-(pyrrolidin-1-ylmethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

228.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.133546 151.7
[M+Na]+ 251.115488 159.0
[M-H]- 227.118994 155.0
[M+NH4]+ 246.160093 169.1
[M+K]+ 267.089428 154.3
[M+H-H2O]+ 211.123530 143.4
[M+HCOO]- 273.124471 169.9
[M+CH3COO]- 287.140121 163.2
[M+Na-2H]- 249.100936 156.1
[M]+ 228.12572142 148.8
[M]- 228.12681858 148.8
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