CID 21601950

4,8-dimethylquinolin-6-ol

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=C2C=C(C=C(C2=NC=C1)C)O
InChI
InChI=1S/C11H11NO/c1-7-3-4-12-11-8(2)5-9(13)6-10(7)11/h3-6,13H,1-2H3
InChIKey
OJTRAADRYJYHPV-UHFFFAOYSA-N
Compound name
4,8-dimethylquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

173.08406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 134.9
[M+Na]+ 196.073278 145.4
[M-H]- 172.076784 137.7
[M+NH4]+ 191.117883 155.1
[M+K]+ 212.047218 141.7
[M+H-H2O]+ 156.081320 128.9
[M+HCOO]- 218.082261 156.2
[M+CH3COO]- 232.097911 180.2
[M+Na-2H]- 194.058726 142.8
[M]+ 173.08351142 135.6
[M]- 173.08460858 135.6
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