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

3
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 137.1
[M+Na]+ 201.11240 145.3
[M-H]- 177.11590 139.4
[M+NH4]+ 196.15700 158.6
[M+K]+ 217.08634 136.6
[M+H-H2O]+ 161.12044 134.2
[M+HCOO]- 223.12138 155.0
[M+CH3COO]- 237.13703 172.6
[M+Na-2H]- 199.09785 147.0
[M]+ 178.12263 133.1
[M]- 178.12373 133.1
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