CID 3051413

1,1-dimethyl-8-hydroxy-1,2,3,4-tetrahydroquinolinium bromide

Structural Information

Molecular Formula
C11H16NO
SMILES
C[N+]1(CCCC2=C1C(=CC=C2)O)C
InChI
InChI=1S/C11H15NO/c1-12(2)8-4-6-9-5-3-7-10(13)11(9)12/h3,5,7H,4,6,8H2,1-2H3/p+1
InChIKey
GDIVJHJSWQVLKI-UHFFFAOYSA-O
Compound name
1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

178.12318 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.13046 136.4
[M+Na]+ 201.11240 152.1
[M+NH4]+ 196.15700 148.7
[M+K]+ 217.08634 143.4
[M-H]- 177.11590 140.8
[M+Na-2H]- 199.09785 145.3
[M]+ 178.12263 140.5
[M]- 178.12373 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe