CID 45864

5-naphthol, 1,2,3,4-tetrahydro-6-chloro-1-(dimethylamino)-, hydriodide

Structural Information

Molecular Formula
C12H16ClNO
SMILES
CN(C)C1CCCC2=C1C=CC(=C2O)Cl
InChI
InChI=1S/C12H16ClNO/c1-14(2)11-5-3-4-9-8(11)6-7-10(13)12(9)15/h6-7,11,15H,3-5H2,1-2H3
InChIKey
OUJHFZQXXOBGAT-UHFFFAOYSA-N
Compound name
2-chloro-5-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

225.09204 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.099316 148.1
[M+Na]+ 248.081258 156.1
[M-H]- 224.084764 152.5
[M+NH4]+ 243.125863 168.5
[M+K]+ 264.055198 152.2
[M+H-H2O]+ 208.089300 143.2
[M+HCOO]- 270.090241 164.4
[M+CH3COO]- 284.105891 193.4
[M+Na-2H]- 246.066706 152.5
[M]+ 225.09149142 148.4
[M]- 225.09258858 148.4
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.