CID 3076644

Alpha-((2-(dimethylamino)ethoxy)methyl)-4-methyl-2-naphthalenemethanol hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1=CC(=CC2=CC=CC=C12)C(COCCN(C)C)O
InChI
InChI=1S/C17H23NO2/c1-13-10-15(11-14-6-4-5-7-16(13)14)17(19)12-20-9-8-18(2)3/h4-7,10-11,17,19H,8-9,12H2,1-3H3
InChIKey
YYIIKSXJEKQIMZ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.9
[M+Na]+ 296.16210 171.5
[M-H]- 272.16560 169.9
[M+NH4]+ 291.20670 183.0
[M+K]+ 312.13604 169.0
[M+H-H2O]+ 256.17014 158.6
[M+HCOO]- 318.17108 187.0
[M+CH3COO]- 332.18673 205.8
[M+Na-2H]- 294.14755 169.5
[M]+ 273.17233 169.0
[M]- 273.17343 169.0
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.