CID 42467

6,7-dihydroxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium iodide

Structural Information

Molecular Formula
C11H16NO2
SMILES
C[N+]1(CCC2=CC(=C(C=C2C1)O)O)C
InChI
InChI=1S/C11H15NO2/c1-12(2)4-3-8-5-10(13)11(14)6-9(8)7-12/h5-6H,3-4,7H2,1-2H3,(H-,13,14)/p+1
InChIKey
BQRIKFLUSSWVLE-UHFFFAOYSA-O
Compound name
2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1181 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12538 140.5
[M+Na]+ 217.10732 149.2
[M-H]- 193.11082 141.8
[M+NH4]+ 212.15192 160.9
[M+K]+ 233.08126 140.1
[M+H-H2O]+ 177.11536 138.1
[M+HCOO]- 239.11630 157.1
[M+CH3COO]- 253.13195 173.1
[M+Na-2H]- 215.09277 149.4
[M]+ 194.11755 136.6
[M]- 194.11865 136.6
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

No patent data available for this compound.