CID 3076634

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

Structural Information

Molecular Formula
C16H21NO2
SMILES
CN(C)CCOCC(C1=CC2=CC=CC=C2C=C1)O
InChI
InChI=1S/C16H21NO2/c1-17(2)9-10-19-12-16(18)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16,18H,9-10,12H2,1-2H3
InChIKey
ICZQVBFZZYZSGO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-1-naphthalen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

259.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.4
[M+Na]+ 282.14645 166.4
[M-H]- 258.14995 165.2
[M+NH4]+ 277.19105 178.7
[M+K]+ 298.12039 164.1
[M+H-H2O]+ 242.15449 154.0
[M+HCOO]- 304.15543 182.9
[M+CH3COO]- 318.17108 201.6
[M+Na-2H]- 280.13190 166.2
[M]+ 259.15668 163.7
[M]- 259.15778 163.7
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