CID 513395

2-(2-hydroxypropyl)quinolin-8-ol

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC(CC1=NC2=C(C=CC=C2O)C=C1)O
InChI
InChI=1S/C12H13NO2/c1-8(14)7-10-6-5-9-3-2-4-11(15)12(9)13-10/h2-6,8,14-15H,7H2,1H3
InChIKey
UUUWOGPYWAFBIG-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

203.09464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.7
[M+Na]+ 226.08386 152.0
[M-H]- 202.08736 144.5
[M+NH4]+ 221.12846 161.5
[M+K]+ 242.05780 148.2
[M+H-H2O]+ 186.09190 137.4
[M+HCOO]- 248.09284 162.3
[M+CH3COO]- 262.10849 182.5
[M+Na-2H]- 224.06931 150.1
[M]+ 203.09409 143.3
[M]- 203.09519 143.3
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